subroutine chkder(m,n,x,fvec,fjac,ldfjac,xp,fvecp,mode,err) c*********************************************************************72 c cc CHKDER checks the gradients of M functions of N variables. c c this subroutine checks the gradients of m nonlinear functions c in n variables, evaluated at a point x, for consistency with c the functions themselves. the user must call chkder twice, c first with mode = 1 and then with mode = 2. c c mode = 1. on input, x must contain the point of evaluation. c on output, xp is set to a neighboring point. c c mode = 2. on input, fvec must contain the functions and the c rows of fjac must contain the gradients c of the respective functions each evaluated c at x, and fvecp must contain the functions c evaluated at xp. c on output, err contains measures of correctness of c the respective gradients. c c the subroutine does not perform reliably if cancellation or c rounding errors cause a severe loss of significance in the c evaluation of a function. therefore, none of the components c of x should be unusually small (in particular, zero) or any c other value which may cause loss of significance. c c the subroutine statement is c c subroutine chkder(m,n,x,fvec,fjac,ldfjac,xp,fvecp,mode,err) c c where c c m is a positive integer input variable set to the number c of functions. c c n is a positive integer input variable set to the number c of variables. c c x is an input array of length n. c c fvec is an array of length m. on input when mode = 2, c fvec must contain the functions evaluated at x. c c fjac is an m by n array. on input when mode = 2, c the rows of fjac must contain the gradients of c the respective functions evaluated at x. c c ldfjac is a positive integer input parameter not less than m c which specifies the leading dimension of the array fjac. c c xp is an array of length n. on output when mode = 1, c xp is set to a neighboring point of x. c c fvecp is an array of length m. on input when mode = 2, c fvecp must contain the functions evaluated at xp. c c mode is an integer input variable set to 1 on the first call c and 2 on the second. other values of mode are equivalent c to mode = 1. c c err is an array of length m. on output when mode = 2, c err contains measures of correctness of the respective c gradients. if there is no severe loss of significance, c then if err(i) is 1.0 the i-th gradient is correct, c while if err(i) is 0.0 the i-th gradient is incorrect. c for values of err between 0.0 and 1.0, the categorization c is less certain. in general, a value of err(i) greater c than 0.5 indicates that the i-th gradient is probably c correct, while a value of err(i) less than 0.5 indicates c that the i-th gradient is probably incorrect. c c subprograms called c c minpack supplied ... dpmpar c c fortran supplied ... dabs,dlog10,dsqrt c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer m,n,ldfjac,mode double precision x(n),fvec(m),fjac(ldfjac,n),xp(n),fvecp(m), * err(m) integer i,j double precision eps,epsf,epslog,epsmch,factor,one,temp,zero double precision dpmpar data factor,one,zero /1.0d2,1.0d0,0.0d0/ c c epsmch is the machine precision. c epsmch = dpmpar(1) c eps = dsqrt(epsmch) c if (mode .eq. 2) go to 20 c c mode = 1. c do 10 j = 1, n temp = eps*dabs(x(j)) if (temp .eq. zero) temp = eps xp(j) = x(j) + temp 10 continue go to 70 20 continue c c mode = 2. c epsf = factor*epsmch epslog = dlog10(eps) do 30 i = 1, m err(i) = zero 30 continue do 50 j = 1, n temp = dabs(x(j)) if (temp .eq. zero) temp = one do 40 i = 1, m err(i) = err(i) + temp*fjac(i,j) 40 continue 50 continue do 60 i = 1, m temp = one if (fvec(i) .ne. zero .and. fvecp(i) .ne. zero * .and. dabs(fvecp(i)-fvec(i)) .ge. epsf*dabs(fvec(i))) * temp = eps*dabs((fvecp(i)-fvec(i))/eps-err(i)) * /(dabs(fvec(i)) + dabs(fvecp(i))) err(i) = one if (temp .gt. epsmch .and. temp .lt. eps) * err(i) = (dlog10(temp) - epslog)/epslog if (temp .ge. eps) err(i) = zero 60 continue 70 continue c return c c last card of subroutine chkder. c end subroutine dogleg(n,r,lr,diag,qtb,delta,x,wa1,wa2) integer n,lr double precision delta double precision r(lr),diag(n),qtb(n),x(n),wa1(n),wa2(n) c*********************************************************************72 c cc DOGLEG finds the minimizing combination of Gauss-Newton and gradient steps. c c given an m by n matrix a, an n by n nonsingular diagonal c matrix d, an m-vector b, and a positive number delta, the c problem is to determine the convex combination x of the c gauss-newton and scaled gradient directions that minimizes c (a*x - b) in the least squares sense, subject to the c restriction that the euclidean norm of d*x be at most delta. c c this subroutine completes the solution of the problem c if it is provided with the necessary information from the c qr factorization of a. that is, if a = q*r, where q has c orthogonal columns and r is an upper triangular matrix, c then dogleg expects the full upper triangle of r and c the first n components of (q transpose)*b. c c the subroutine statement is c c subroutine dogleg(n,r,lr,diag,qtb,delta,x,wa1,wa2) c c where c c n is a positive integer input variable set to the order of r. c c r is an input array of length lr which must contain the upper c triangular matrix r stored by rows. c c lr is a positive integer input variable not less than c (n*(n+1))/2. c c diag is an input array of length n which must contain the c diagonal elements of the matrix d. c c qtb is an input array of length n which must contain the first c n elements of the vector (q transpose)*b. c c delta is a positive input variable which specifies an upper c bound on the euclidean norm of d*x. c c x is an output array of length n which contains the desired c convex combination of the gauss-newton direction and the c scaled gradient direction. c c wa1 and wa2 are work arrays of length n. c c subprograms called c c minpack-supplied ... dpmpar,enorm c c fortran-supplied ... dabs,dmax1,dmin1,dsqrt c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer i,j,jj,jp1,k,l double precision alpha,bnorm,epsmch,gnorm,one,qnorm,sgnorm,sum, * temp,zero double precision dpmpar,enorm data one,zero /1.0d0,0.0d0/ c c epsmch is the machine precision. c epsmch = dpmpar(1) c c first, calculate the gauss-newton direction. c jj = (n*(n + 1))/2 + 1 do 50 k = 1, n j = n - k + 1 jp1 = j + 1 jj = jj - k l = jj + 1 sum = zero if (n .lt. jp1) go to 20 do 10 i = jp1, n sum = sum + r(l)*x(i) l = l + 1 10 continue 20 continue temp = r(jj) if (temp .ne. zero) go to 40 l = j do 30 i = 1, j temp = dmax1(temp,dabs(r(l))) l = l + n - i 30 continue temp = epsmch*temp if (temp .eq. zero) temp = epsmch 40 continue x(j) = (qtb(j) - sum)/temp 50 continue c c test whether the gauss-newton direction is acceptable. c do 60 j = 1, n wa1(j) = zero wa2(j) = diag(j)*x(j) 60 continue qnorm = enorm(n,wa2) if (qnorm .le. delta) go to 140 c c the gauss-newton direction is not acceptable. c next, calculate the scaled gradient direction. c l = 1 do 80 j = 1, n temp = qtb(j) do 70 i = j, n wa1(i) = wa1(i) + r(l)*temp l = l + 1 70 continue wa1(j) = wa1(j)/diag(j) 80 continue c c calculate the norm of the scaled gradient and test for c the special case in which the scaled gradient is zero. c gnorm = enorm(n,wa1) sgnorm = zero alpha = delta/qnorm if (gnorm .eq. zero) go to 120 c c calculate the point along the scaled gradient c at which the quadratic is minimized. c do 90 j = 1, n wa1(j) = (wa1(j)/gnorm)/diag(j) 90 continue l = 1 do 110 j = 1, n sum = zero do 100 i = j, n sum = sum + r(l)*wa1(i) l = l + 1 100 continue wa2(j) = sum 110 continue temp = enorm(n,wa2) sgnorm = (gnorm/temp)/temp c c test whether the scaled gradient direction is acceptable. c alpha = zero if (sgnorm .ge. delta) go to 120 c c the scaled gradient direction is not acceptable. c finally, calculate the point along the dogleg c at which the quadratic is minimized. c bnorm = enorm(n,qtb) temp = (bnorm/gnorm)*(bnorm/qnorm)*(sgnorm/delta) temp = temp - (delta/qnorm)*(sgnorm/delta)**2 * + dsqrt((temp-(delta/qnorm))**2 * +(one-(delta/qnorm)**2)*(one-(sgnorm/delta)**2)) alpha = ((delta/qnorm)*(one - (sgnorm/delta)**2))/temp 120 continue c c form appropriate convex combination of the gauss-newton c direction and the scaled gradient direction. c temp = (one - alpha)*dmin1(sgnorm,delta) do 130 j = 1, n x(j) = temp*wa1(j) + alpha*x(j) 130 continue 140 continue return c c last card of subroutine dogleg. c end double precision function dpmpar(i) integer i c*********************************************************************72 c cc DPMPAR provides double precision machine parameters. c c This function provides double precision machine parameters c when the appropriate set of data statements is activated (by c removing the c from column 1) and all other data statements are c rendered inactive. Most of the parameter values were obtained c from the corresponding Bell Laboratories Port Library function. c c The function statement is c c double precision function dpmpar(i) c c where c c i is an integer input variable set to 1, 2, or 3 which c selects the desired machine parameter. If the machine has c t base b digits and its smallest and largest exponents are c emin and emax, respectively, then these parameters are c c dpmpar(1) = b**(1 - t), the machine precision, c c dpmpar(2) = b**(emin - 1), the smallest magnitude, c c dpmpar(3) = b**emax*(1 - b**(-t)), the largest magnitude. c c Argonne National Laboratory. MINPACK Project. November 1996. c Burton S. Garbow, Kenneth E. Hillstrom, Jorge J. More' c c ********** integer mcheps(4) integer minmag(4) integer maxmag(4) double precision dmach(3) equivalence (dmach(1),mcheps(1)) equivalence (dmach(2),minmag(1)) equivalence (dmach(3),maxmag(1)) c c Machine constants for the IBM 360/370 series, c the Amdahl 470/V6, the ICL 2900, the Itel AS/6, c the Xerox Sigma 5/7/9 and the Sel systems 85/86. c c data mcheps(1),mcheps(2) / z34100000, z00000000 / c data minmag(1),minmag(2) / z00100000, z00000000 / c data maxmag(1),maxmag(2) / z7fffffff, zffffffff / c c Machine constants for the Honeywell 600/6000 series. c c data mcheps(1),mcheps(2) / o606400000000, o000000000000 / c data minmag(1),minmag(2) / o402400000000, o000000000000 / c data maxmag(1),maxmag(2) / o376777777777, o777777777777 / c c Machine constants for the CDC 6000/7000 series. c c data mcheps(1) / 15614000000000000000b / c data mcheps(2) / 15010000000000000000b / c c data minmag(1) / 00604000000000000000b / c data minmag(2) / 00000000000000000000b / c c data maxmag(1) / 37767777777777777777b / c data maxmag(2) / 37167777777777777777b / c c Machine constants for the PDP-10 (KA processor). c c data mcheps(1),mcheps(2) / "114400000000, "000000000000 / c data minmag(1),minmag(2) / "033400000000, "000000000000 / c data maxmag(1),maxmag(2) / "377777777777, "344777777777 / c c Machine constants for the PDP-10 (KI processor). c c data mcheps(1),mcheps(2) / "104400000000, "000000000000 / c data minmag(1),minmag(2) / "000400000000, "000000000000 / c data maxmag(1),maxmag(2) / "377777777777, "377777777777 / c c Machine constants for the PDP-11. c c data mcheps(1),mcheps(2) / 9472, 0 / c data mcheps(3),mcheps(4) / 0, 0 / c c data minmag(1),minmag(2) / 128, 0 / c data minmag(3),minmag(4) / 0, 0 / c c data maxmag(1),maxmag(2) / 32767, -1 / c data maxmag(3),maxmag(4) / -1, -1 / c c Machine constants for the Burroughs 6700/7700 systems. c c data mcheps(1) / o1451000000000000 / c data mcheps(2) / o0000000000000000 / c c data minmag(1) / o1771000000000000 / c data minmag(2) / o7770000000000000 / c c data maxmag(1) / o0777777777777777 / c data maxmag(2) / o7777777777777777 / c c Machine constants for the Burroughs 5700 system. c c data mcheps(1) / o1451000000000000 / c data mcheps(2) / o0000000000000000 / c c data minmag(1) / o1771000000000000 / c data minmag(2) / o0000000000000000 / c c data maxmag(1) / o0777777777777777 / c data maxmag(2) / o0007777777777777 / c c Machine constants for the Burroughs 1700 system. c c data mcheps(1) / zcc6800000 / c data mcheps(2) / z000000000 / c c data minmag(1) / zc00800000 / c data minmag(2) / z000000000 / c c data maxmag(1) / zdffffffff / c data maxmag(2) / zfffffffff / c c Machine constants for the Univac 1100 series. c c data mcheps(1),mcheps(2) / o170640000000, o000000000000 / c data minmag(1),minmag(2) / o000040000000, o000000000000 / c data maxmag(1),maxmag(2) / o377777777777, o777777777777 / c c Machine constants for the Data General Eclipse S/200. c c Note - it may be appropriate to include the following card - c static dmach(3) c c data minmag/20k,3*0/,maxmag/77777k,3*177777k/ c data mcheps/32020k,3*0/ c c Machine constants for the Harris 220. c c data mcheps(1),mcheps(2) / '20000000, '00000334 / c data minmag(1),minmag(2) / '20000000, '00000201 / c data maxmag(1),maxmag(2) / '37777777, '37777577 / c c Machine constants for the Cray-1. c c data mcheps(1) / 0376424000000000000000b / c data mcheps(2) / 0000000000000000000000b / c c data minmag(1) / 0200034000000000000000b / c data minmag(2) / 0000000000000000000000b / c c data maxmag(1) / 0577777777777777777777b / c data maxmag(2) / 0000007777777777777776b / c c Machine constants for the Prime 400. c c data mcheps(1),mcheps(2) / :10000000000, :00000000123 / c data minmag(1),minmag(2) / :10000000000, :00000100000 / c data maxmag(1),maxmag(2) / :17777777777, :37777677776 / c c Machine constants for the VAX-11. c c data mcheps(1),mcheps(2) / 9472, 0 / c data minmag(1),minmag(2) / 128, 0 / c data maxmag(1),maxmag(2) / -32769, -1 / c c Machine constants for IEEE machines. c data dmach(1) /2.22044604926d-16/ data dmach(2) /2.22507385852d-308/ data dmach(3) /1.79769313485d+308/ c dpmpar = dmach(i) return c c Last card of function dpmpar. c end double precision function enorm(n,x) integer n double precision x(n) c*********************************************************************72 c cc ENORM computes the Euclidean norm of a vector. c c given an n-vector x, this function calculates the c euclidean norm of x. c c the euclidean norm is computed by accumulating the sum of c squares in three different sums. the sums of squares for the c small and large components are scaled so that no overflows c occur. non-destructive underflows are permitted. underflows c and overflows do not occur in the computation of the unscaled c sum of squares for the intermediate components. c the definitions of small, intermediate and large components c depend on two constants, rdwarf and rgiant. the main c restrictions on these constants are that rdwarf**2 not c underflow and rgiant**2 not overflow. the constants c given here are suitable for every known computer. c c the function statement is c c double precision function enorm(n,x) c c where c c n is a positive integer input variable. c c x is an input array of length n. c c subprograms called c c fortran-supplied ... dabs,dsqrt c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer i double precision agiant,floatn,one,rdwarf,rgiant,s1,s2,s3,xabs, * x1max,x3max,zero data one,zero,rdwarf,rgiant /1.0d0,0.0d0,3.834d-20,1.304d19/ s1 = zero s2 = zero s3 = zero x1max = zero x3max = zero floatn = n agiant = rgiant/floatn do 90 i = 1, n xabs = dabs(x(i)) if (xabs .gt. rdwarf .and. xabs .lt. agiant) go to 70 if (xabs .le. rdwarf) go to 30 c c sum for large components. c if (xabs .le. x1max) go to 10 s1 = one + s1*(x1max/xabs)**2 x1max = xabs go to 20 10 continue s1 = s1 + (xabs/x1max)**2 20 continue go to 60 30 continue c c sum for small components. c if (xabs .le. x3max) go to 40 s3 = one + s3*(x3max/xabs)**2 x3max = xabs go to 50 40 continue if (xabs .ne. zero) s3 = s3 + (xabs/x3max)**2 50 continue 60 continue go to 80 70 continue c c sum for intermediate components. c s2 = s2 + xabs**2 80 continue 90 continue c c calculation of norm. c if (s1 .eq. zero) go to 100 enorm = x1max*dsqrt(s1+(s2/x1max)/x1max) go to 130 100 continue if (s2 .eq. zero) go to 110 if (s2 .ge. x3max) * enorm = dsqrt(s2*(one+(x3max/s2)*(x3max*s3))) if (s2 .lt. x3max) * enorm = dsqrt(x3max*((s2/x3max)+(x3max*s3))) go to 120 110 continue enorm = x3max*dsqrt(s3) 120 continue 130 continue return c c last card of function enorm. c end subroutine fdjac1(fcn,n,x,fvec,fjac,ldfjac,iflag,ml,mu,epsfcn, * wa1,wa2) integer n,ldfjac,iflag,ml,mu double precision epsfcn double precision x(n),fvec(n),fjac(ldfjac,n),wa1(n),wa2(n) c*********************************************************************72 c cc FDJAC1 estimates an N by N jacobian matrix using forward differences. c c this subroutine computes a forward-difference approximation c to the n by n jacobian matrix associated with a specified c problem of n functions in n variables. if the jacobian has c a banded form, then function evaluations are saved by only c approximating the nonzero terms. c c the subroutine statement is c c subroutine fdjac1(fcn,n,x,fvec,fjac,ldfjac,iflag,ml,mu,epsfcn, c wa1,wa2) c c where c c fcn is the name of the user-supplied subroutine which c calculates the functions. fcn must be declared c in an external statement in the user calling c program, and should be written as follows. c c subroutine fcn(n,x,fvec,iflag) c integer n,iflag c double precision x(n),fvec(n) c ---------- c calculate the functions at x and c return this vector in fvec. c ---------- c return c end c c the value of iflag should not be changed by fcn unless c the user wants to terminate execution of fdjac1. c in this case set iflag to a negative integer. c c n is a positive integer input variable set to the number c of functions and variables. c c x is an input array of length n. c c fvec is an input array of length n which must contain the c functions evaluated at x. c c fjac is an output n by n array which contains the c approximation to the jacobian matrix evaluated at x. c c ldfjac is a positive integer input variable not less than n c which specifies the leading dimension of the array fjac. c c iflag is an integer variable which can be used to terminate c the execution of fdjac1. see description of fcn. c c ml is a nonnegative integer input variable which specifies c the number of subdiagonals within the band of the c jacobian matrix. if the jacobian is not banded, set c ml to at least n - 1. c c epsfcn is an input variable used in determining a suitable c step length for the forward-difference approximation. this c approximation assumes that the relative errors in the c functions are of the order of epsfcn. if epsfcn is less c than the machine precision, it is assumed that the relative c errors in the functions are of the order of the machine c precision. c c mu is a nonnegative integer input variable which specifies c the number of superdiagonals within the band of the c jacobian matrix. if the jacobian is not banded, set c mu to at least n - 1. c c wa1 and wa2 are work arrays of length n. if ml + mu + 1 is at c least n, then the jacobian is considered dense, and wa2 is c not referenced. c c subprograms called c c minpack-supplied ... dpmpar c c fortran-supplied ... dabs,dmax1,dsqrt c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer i,j,k,msum double precision eps,epsmch,h,temp,zero double precision dpmpar data zero /0.0d0/ c c epsmch is the machine precision. c epsmch = dpmpar(1) c eps = dsqrt(dmax1(epsfcn,epsmch)) msum = ml + mu + 1 if (msum .lt. n) go to 40 c c computation of dense approximate jacobian. c do 20 j = 1, n temp = x(j) h = eps*dabs(temp) if (h .eq. zero) h = eps x(j) = temp + h call fcn(n,x,wa1,iflag) if (iflag .lt. 0) go to 30 x(j) = temp do 10 i = 1, n fjac(i,j) = (wa1(i) - fvec(i))/h 10 continue 20 continue 30 continue go to 110 40 continue c c computation of banded approximate jacobian. c do 90 k = 1, msum do 60 j = k, n, msum wa2(j) = x(j) h = eps*dabs(wa2(j)) if (h .eq. zero) h = eps x(j) = wa2(j) + h 60 continue call fcn(n,x,wa1,iflag) if (iflag .lt. 0) go to 100 do 80 j = k, n, msum x(j) = wa2(j) h = eps*dabs(wa2(j)) if (h .eq. zero) h = eps do 70 i = 1, n fjac(i,j) = zero if (i .ge. j - mu .and. i .le. j + ml) * fjac(i,j) = (wa1(i) - fvec(i))/h 70 continue 80 continue 90 continue 100 continue 110 continue return c c last card of subroutine fdjac1. c end subroutine fdjac2(fcn,m,n,x,fvec,fjac,ldfjac,iflag,epsfcn,wa) integer m,n,ldfjac,iflag double precision epsfcn double precision x(n),fvec(m),fjac(ldfjac,n),wa(m) c*********************************************************************72 c cc FDJAC2 estimates an M by N jacobian matrix using forward differences. c c this subroutine computes a forward-difference approximation c to the m by n jacobian matrix associated with a specified c problem of m functions in n variables. c c the subroutine statement is c c subroutine fdjac2(fcn,m,n,x,fvec,fjac,ldfjac,iflag,epsfcn,wa) c c where c c fcn is the name of the user-supplied subroutine which c calculates the functions. fcn must be declared c in an external statement in the user calling c program, and should be written as follows. c c subroutine fcn(m,n,x,fvec,iflag) c integer m,n,iflag c double precision x(n),fvec(m) c ---------- c calculate the functions at x and c return this vector in fvec. c ---------- c return c end c c the value of iflag should not be changed by fcn unless c the user wants to terminate execution of fdjac2. c in this case set iflag to a negative integer. c c m is a positive integer input variable set to the number c of functions. c c n is a positive integer input variable set to the number c of variables. n must not exceed m. c c x is an input array of length n. c c fvec is an input array of length m which must contain the c functions evaluated at x. c c fjac is an output m by n array which contains the c approximation to the jacobian matrix evaluated at x. c c ldfjac is a positive integer input variable not less than m c which specifies the leading dimension of the array fjac. c c iflag is an integer variable which can be used to terminate c the execution of fdjac2. see description of fcn. c c epsfcn is an input variable used in determining a suitable c step length for the forward-difference approximation. this c approximation assumes that the relative errors in the c functions are of the order of epsfcn. if epsfcn is less c than the machine precision, it is assumed that the relative c errors in the functions are of the order of the machine c precision. c c wa is a work array of length m. c c subprograms called c c user-supplied ...... fcn c c minpack-supplied ... dpmpar c c fortran-supplied ... dabs,dmax1,dsqrt c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer i,j double precision eps,epsmch,h,temp,zero double precision dpmpar data zero /0.0d0/ c c epsmch is the machine precision. c epsmch = dpmpar(1) c eps = dsqrt(dmax1(epsfcn,epsmch)) do 20 j = 1, n temp = x(j) h = eps*dabs(temp) if (h .eq. zero) h = eps x(j) = temp + h call fcn(m,n,x,wa,iflag) if (iflag .lt. 0) go to 30 x(j) = temp do 10 i = 1, m fjac(i,j) = (wa(i) - fvec(i))/h 10 continue 20 continue 30 continue return c c last card of subroutine fdjac2. c end subroutine hybrd(fcn,n,x,fvec,xtol,maxfev,ml,mu,epsfcn,diag, * mode,factor,nprint,info,nfev,fjac,ldfjac,r,lr, * qtf,wa1,wa2,wa3,wa4) integer n,maxfev,ml,mu,mode,nprint,info,nfev,ldfjac,lr double precision xtol,epsfcn,factor double precision x(n),fvec(n),diag(n),fjac(ldfjac,n),r(lr), * qtf(n),wa1(n),wa2(n),wa3(n),wa4(n) external fcn c*********************************************************************72 c cc HYBRD seeks a zero of N nonlinear equations in N variables. c c the purpose of hybrd is to find a zero of a system of c n nonlinear functions in n variables by a modification c of the powell hybrid method. the user must provide a c subroutine which calculates the functions. the jacobian is c then calculated by a forward-difference approximation. c c the subroutine statement is c c subroutine hybrd(fcn,n,x,fvec,xtol,maxfev,ml,mu,epsfcn, c diag,mode,factor,nprint,info,nfev,fjac, c ldfjac,r,lr,qtf,wa1,wa2,wa3,wa4) c c where c c fcn is the name of the user-supplied subroutine which c calculates the functions. fcn must be declared c in an external statement in the user calling c program, and should be written as follows. c c subroutine fcn(n,x,fvec,iflag) c integer n,iflag c double precision x(n),fvec(n) c ---------- c calculate the functions at x and c return this vector in fvec. c --------- c return c end c c the value of iflag should not be changed by fcn unless c the user wants to terminate execution of hybrd. c in this case set iflag to a negative integer. c c n is a positive integer input variable set to the number c of functions and variables. c c x is an array of length n. on input x must contain c an initial estimate of the solution vector. on output x c contains the final estimate of the solution vector. c c fvec is an output array of length n which contains c the functions evaluated at the output x. c c xtol is a nonnegative input variable. termination c occurs when the relative error between two consecutive c iterates is at most xtol. c c maxfev is a positive integer input variable. termination c occurs when the number of calls to fcn is at least maxfev c by the end of an iteration. c c ml is a nonnegative integer input variable which specifies c the number of subdiagonals within the band of the c jacobian matrix. if the jacobian is not banded, set c ml to at least n - 1. c c mu is a nonnegative integer input variable which specifies c the number of superdiagonals within the band of the c jacobian matrix. if the jacobian is not banded, set c mu to at least n - 1. c c epsfcn is an input variable used in determining a suitable c step length for the forward-difference approximation. this c approximation assumes that the relative errors in the c functions are of the order of epsfcn. if epsfcn is less c than the machine precision, it is assumed that the relative c errors in the functions are of the order of the machine c precision. c c diag is an array of length n. if mode = 1 (see c below), diag is internally set. if mode = 2, diag c must contain positive entries that serve as c multiplicative scale factors for the variables. c c mode is an integer input variable. if mode = 1, the c variables will be scaled internally. if mode = 2, c the scaling is specified by the input diag. other c values of mode are equivalent to mode = 1. c c factor is a positive input variable used in determining the c initial step bound. this bound is set to the product of c factor and the euclidean norm of diag*x if nonzero, or else c to factor itself. in most cases factor should lie in the c interval (.1,100.). 100. is a generally recommended value. c c nprint is an integer input variable that enables controlled c printing of iterates if it is positive. in this case, c fcn is called with iflag = 0 at the beginning of the first c iteration and every nprint iterations thereafter and c immediately prior to return, with x and fvec available c for printing. if nprint is not positive, no special calls c of fcn with iflag = 0 are made. c c info is an integer output variable. if the user has c terminated execution, info is set to the (negative) c value of iflag. see description of fcn. otherwise, c info is set as follows. c c info = 0 improper input parameters. c c info = 1 relative error between two consecutive iterates c is at most xtol. c c info = 2 number of calls to fcn has reached or exceeded c maxfev. c c info = 3 xtol is too small. no further improvement in c the approximate solution x is possible. c c info = 4 iteration is not making good progress, as c measured by the improvement from the last c five jacobian evaluations. c c info = 5 iteration is not making good progress, as c measured by the improvement from the last c ten iterations. c c nfev is an integer output variable set to the number of c calls to fcn. c c fjac is an output n by n array which contains the c orthogonal matrix q produced by the qr factorization c of the final approximate jacobian. c c ldfjac is a positive integer input variable not less than n c which specifies the leading dimension of the array fjac. c c r is an output array of length lr which contains the c upper triangular matrix produced by the qr factorization c of the final approximate jacobian, stored rowwise. c c lr is a positive integer input variable not less than c (n*(n+1))/2. c c qtf is an output array of length n which contains c the vector (q transpose)*fvec. c c wa1, wa2, wa3, and wa4 are work arrays of length n. c c subprograms called c c user-supplied ...... fcn c c minpack-supplied ... dogleg,dpmpar,enorm,fdjac1, c qform,qrfac,r1mpyq,r1updt c c fortran-supplied ... dabs,dmax1,dmin1,min0,mod c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer i,iflag,iter,j,jm1,l,msum,ncfail,ncsuc,nslow1,nslow2 integer iwa(1) logical jeval,sing double precision actred,delta,epsmch,fnorm,fnorm1,one,pnorm, * prered,p1,p5,p001,p0001,ratio,sum,temp,xnorm, * zero double precision dpmpar,enorm data one,p1,p5,p001,p0001,zero * /1.0d0,1.0d-1,5.0d-1,1.0d-3,1.0d-4,0.0d0/ c c epsmch is the machine precision. c epsmch = dpmpar(1) c info = 0 iflag = 0 nfev = 0 c c check the input parameters for errors. c if (n .le. 0 .or. xtol .lt. zero .or. maxfev .le. 0 * .or. ml .lt. 0 .or. mu .lt. 0 .or. factor .le. zero * .or. ldfjac .lt. n .or. lr .lt. (n*(n + 1))/2) go to 300 if (mode .ne. 2) go to 20 do 10 j = 1, n if (diag(j) .le. zero) go to 300 10 continue 20 continue c c evaluate the function at the starting point c and calculate its norm. c iflag = 1 call fcn(n,x,fvec,iflag) nfev = 1 if (iflag .lt. 0) go to 300 fnorm = enorm(n,fvec) c c determine the number of calls to fcn needed to compute c the jacobian matrix. c msum = min0(ml+mu+1,n) c c initialize iteration counter and monitors. c iter = 1 ncsuc = 0 ncfail = 0 nslow1 = 0 nslow2 = 0 c c beginning of the outer loop. c 30 continue jeval = .true. c c calculate the jacobian matrix. c iflag = 2 call fdjac1(fcn,n,x,fvec,fjac,ldfjac,iflag,ml,mu,epsfcn,wa1, * wa2) nfev = nfev + msum if (iflag .lt. 0) go to 300 c c compute the qr factorization of the jacobian. c call qrfac(n,n,fjac,ldfjac,.false.,iwa,1,wa1,wa2,wa3) c c on the first iteration and if mode is 1, scale according c to the norms of the columns of the initial jacobian. c if (iter .ne. 1) go to 70 if (mode .eq. 2) go to 50 do 40 j = 1, n diag(j) = wa2(j) if (wa2(j) .eq. zero) diag(j) = one 40 continue 50 continue c c on the first iteration, calculate the norm of the scaled x c and initialize the step bound delta. c do 60 j = 1, n wa3(j) = diag(j)*x(j) 60 continue xnorm = enorm(n,wa3) delta = factor*xnorm if (delta .eq. zero) delta = factor 70 continue c c form (q transpose)*fvec and store in qtf. c do 80 i = 1, n qtf(i) = fvec(i) 80 continue do 120 j = 1, n if (fjac(j,j) .eq. zero) go to 110 sum = zero do 90 i = j, n sum = sum + fjac(i,j)*qtf(i) 90 continue temp = -sum/fjac(j,j) do 100 i = j, n qtf(i) = qtf(i) + fjac(i,j)*temp 100 continue 110 continue 120 continue c c copy the triangular factor of the qr factorization into r. c sing = .false. do 150 j = 1, n l = j jm1 = j - 1 if (jm1 .lt. 1) go to 140 do 130 i = 1, jm1 r(l) = fjac(i,j) l = l + n - i 130 continue 140 continue r(l) = wa1(j) if (wa1(j) .eq. zero) sing = .true. 150 continue c c accumulate the orthogonal factor in fjac. c call qform(n,n,fjac,ldfjac,wa1) c c rescale if necessary. c if (mode .eq. 2) go to 170 do 160 j = 1, n diag(j) = dmax1(diag(j),wa2(j)) 160 continue 170 continue c c beginning of the inner loop. c 180 continue c c if requested, call fcn to enable printing of iterates. c if (nprint .le. 0) go to 190 iflag = 0 if (mod(iter-1,nprint) .eq. 0) call fcn(n,x,fvec,iflag) if (iflag .lt. 0) go to 300 190 continue c c determine the direction p. c call dogleg(n,r,lr,diag,qtf,delta,wa1,wa2,wa3) c c store the direction p and x + p. calculate the norm of p. c do 200 j = 1, n wa1(j) = -wa1(j) wa2(j) = x(j) + wa1(j) wa3(j) = diag(j)*wa1(j) 200 continue pnorm = enorm(n,wa3) c c on the first iteration, adjust the initial step bound. c if (iter .eq. 1) delta = dmin1(delta,pnorm) c c evaluate the function at x + p and calculate its norm. c iflag = 1 call fcn(n,wa2,wa4,iflag) nfev = nfev + 1 if (iflag .lt. 0) go to 300 fnorm1 = enorm(n,wa4) c c compute the scaled actual reduction. c actred = -one if (fnorm1 .lt. fnorm) actred = one - (fnorm1/fnorm)**2 c c compute the scaled predicted reduction. c l = 1 do 220 i = 1, n sum = zero do 210 j = i, n sum = sum + r(l)*wa1(j) l = l + 1 210 continue wa3(i) = qtf(i) + sum 220 continue temp = enorm(n,wa3) prered = zero if (temp .lt. fnorm) prered = one - (temp/fnorm)**2 c c compute the ratio of the actual to the predicted c reduction. c ratio = zero if (prered .gt. zero) ratio = actred/prered c c update the step bound. c if (ratio .ge. p1) go to 230 ncsuc = 0 ncfail = ncfail + 1 delta = p5*delta go to 240 230 continue ncfail = 0 ncsuc = ncsuc + 1 if (ratio .ge. p5 .or. ncsuc .gt. 1) * delta = dmax1(delta,pnorm/p5) if (dabs(ratio-one) .le. p1) delta = pnorm/p5 240 continue c c test for successful iteration. c if (ratio .lt. p0001) go to 260 c c successful iteration. update x, fvec, and their norms. c do 250 j = 1, n x(j) = wa2(j) wa2(j) = diag(j)*x(j) fvec(j) = wa4(j) 250 continue xnorm = enorm(n,wa2) fnorm = fnorm1 iter = iter + 1 260 continue c c determine the progress of the iteration. c nslow1 = nslow1 + 1 if (actred .ge. p001) nslow1 = 0 if (jeval) nslow2 = nslow2 + 1 if (actred .ge. p1) nslow2 = 0 c c test for convergence. c if (delta .le. xtol*xnorm .or. fnorm .eq. zero) info = 1 if (info .ne. 0) go to 300 c c tests for termination and stringent tolerances. c if (nfev .ge. maxfev) info = 2 if (p1*dmax1(p1*delta,pnorm) .le. epsmch*xnorm) info = 3 if (nslow2 .eq. 5) info = 4 if (nslow1 .eq. 10) info = 5 if (info .ne. 0) go to 300 c c criterion for recalculating jacobian approximation c by forward differences. c if (ncfail .eq. 2) go to 290 c c calculate the rank one modification to the jacobian c and update qtf if necessary. c do 280 j = 1, n sum = zero do 270 i = 1, n sum = sum + fjac(i,j)*wa4(i) 270 continue wa2(j) = (sum - wa3(j))/pnorm wa1(j) = diag(j)*((diag(j)*wa1(j))/pnorm) if (ratio .ge. p0001) qtf(j) = sum 280 continue c c compute the qr factorization of the updated jacobian. c call r1updt(n,n,r,lr,wa1,wa2,wa3,sing) call r1mpyq(n,n,fjac,ldfjac,wa2,wa3) call r1mpyq(1,n,qtf,1,wa2,wa3) c c end of the inner loop. c jeval = .false. go to 180 290 continue c c end of the outer loop. c go to 30 300 continue c c termination, either normal or user imposed. c if (iflag .lt. 0) info = iflag iflag = 0 if (nprint .gt. 0) call fcn(n,x,fvec,iflag) return c c last card of subroutine hybrd. c end subroutine hybrd1(fcn,n,x,fvec,tol,info,wa,lwa) integer n,info,lwa double precision tol double precision x(n),fvec(n),wa(lwa) external fcn c*********************************************************************72 c cc HYBRD1 seeks a zero of N nonlinear equations in N variables. c c the purpose of hybrd1 is to find a zero of a system of c n nonlinear functions in n variables by a modification c of the powell hybrid method. this is done by using the c more general nonlinear equation solver hybrd. the user c must provide a subroutine which calculates the functions. c the jacobian is then calculated by a forward-difference c approximation. c c the subroutine statement is c c subroutine hybrd1(fcn,n,x,fvec,tol,info,wa,lwa) c c where c c fcn is the name of the user-supplied subroutine which c calculates the functions. fcn must be declared c in an external statement in the user calling c program, and should be written as follows. c c subroutine fcn(n,x,fvec,iflag) c integer n,iflag c double precision x(n),fvec(n) c ---------- c calculate the functions at x and c return this vector in fvec. c --------- c return c end c c the value of iflag should not be changed by fcn unless c the user wants to terminate execution of hybrd1. c in this case set iflag to a negative integer. c c n is a positive integer input variable set to the number c of functions and variables. c c x is an array of length n. on input x must contain c an initial estimate of the solution vector. on output x c contains the final estimate of the solution vector. c c fvec is an output array of length n which contains c the functions evaluated at the output x. c c tol is a nonnegative input variable. termination occurs c when the algorithm estimates that the relative error c between x and the solution is at most tol. c c info is an integer output variable. if the user has c terminated execution, info is set to the (negative) c value of iflag. see description of fcn. otherwise, c info is set as follows. c c info = 0 improper input parameters. c c info = 1 algorithm estimates that the relative error c between x and the solution is at most tol. c c info = 2 number of calls to fcn has reached or exceeded c 200*(n+1). c c info = 3 tol is too small. no further improvement in c the approximate solution x is possible. c c info = 4 iteration is not making good progress. c c wa is a work array of length lwa. c c lwa is a positive integer input variable not less than c (n*(3*n+13))/2. c c subprograms called c c user-supplied ...... fcn c c minpack-supplied ... hybrd c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer index,j,lr,maxfev,ml,mode,mu,nfev,nprint double precision epsfcn,factor,one,xtol,zero data factor,one,zero /1.0d2,1.0d0,0.0d0/ info = 0 c c check the input parameters for errors. c if (n .le. 0 .or. tol .lt. zero .or. lwa .lt. (n*(3*n + 13))/2) * go to 20 c c call hybrd. c maxfev = 200*(n + 1) xtol = tol ml = n - 1 mu = n - 1 epsfcn = zero mode = 2 do 10 j = 1, n wa(j) = one 10 continue nprint = 0 lr = (n*(n + 1))/2 index = 6*n + lr call hybrd(fcn,n,x,fvec,xtol,maxfev,ml,mu,epsfcn,wa(1),mode, * factor,nprint,info,nfev,wa(index+1),n,wa(6*n+1),lr, * wa(n+1),wa(2*n+1),wa(3*n+1),wa(4*n+1),wa(5*n+1)) if (info .eq. 5) info = 4 20 continue return c c last card of subroutine hybrd1. c end subroutine hybrj(fcn,n,x,fvec,fjac,ldfjac,xtol,maxfev,diag,mode, * factor,nprint,info,nfev,njev,r,lr,qtf,wa1,wa2, * wa3,wa4) integer n,ldfjac,maxfev,mode,nprint,info,nfev,njev,lr double precision xtol,factor double precision x(n),fvec(n),fjac(ldfjac,n),diag(n),r(lr), * qtf(n),wa1(n),wa2(n),wa3(n),wa4(n) c*********************************************************************72 c cc HYBRJ seeks a zero of N nonlinear equations in N variables. c c the purpose of hybrj is to find a zero of a system of c n nonlinear functions in n variables by a modification c of the powell hybrid method. the user must provide a c subroutine which calculates the functions and the jacobian. c c the subroutine statement is c c subroutine hybrj(fcn,n,x,fvec,fjac,ldfjac,xtol,maxfev,diag, c mode,factor,nprint,info,nfev,njev,r,lr,qtf, c wa1,wa2,wa3,wa4) c c where c c fcn is the name of the user-supplied subroutine which c calculates the functions and the jacobian. fcn must c be declared in an external statement in the user c calling program, and should be written as follows. c c subroutine fcn(n,x,fvec,fjac,ldfjac,iflag) c integer n,ldfjac,iflag c double precision x(n),fvec(n),fjac(ldfjac,n) c ---------- c if iflag = 1 calculate the functions at x and c return this vector in fvec. do not alter fjac. c if iflag = 2 calculate the jacobian at x and c return this matrix in fjac. do not alter fvec. c --------- c return c end c c the value of iflag should not be changed by fcn unless c the user wants to terminate execution of hybrj. c in this case set iflag to a negative integer. c c n is a positive integer input variable set to the number c of functions and variables. c c x is an array of length n. on input x must contain c an initial estimate of the solution vector. on output x c contains the final estimate of the solution vector. c c fvec is an output array of length n which contains c the functions evaluated at the output x. c c fjac is an output n by n array which contains the c orthogonal matrix q produced by the qr factorization c of the final approximate jacobian. c c ldfjac is a positive integer input variable not less than n c which specifies the leading dimension of the array fjac. c c xtol is a nonnegative input variable. termination c occurs when the relative error between two consecutive c iterates is at most xtol. c c maxfev is a positive integer input variable. termination c occurs when the number of calls to fcn with iflag = 1 c has reached maxfev. c c diag is an array of length n. if mode = 1 (see c below), diag is internally set. if mode = 2, diag c must contain positive entries that serve as c multiplicative scale factors for the variables. c c mode is an integer input variable. if mode = 1, the c variables will be scaled internally. if mode = 2, c the scaling is specified by the input diag. other c values of mode are equivalent to mode = 1. c c factor is a positive input variable used in determining the c initial step bound. this bound is set to the product of c factor and the euclidean norm of diag*x if nonzero, or else c to factor itself. in most cases factor should lie in the c interval (.1,100.). 100. is a generally recommended value. c c nprint is an integer input variable that enables controlled c printing of iterates if it is positive. in this case, c fcn is called with iflag = 0 at the beginning of the first c iteration and every nprint iterations thereafter and c immediately prior to return, with x and fvec available c for printing. fvec and fjac should not be altered. c if nprint is not positive, no special calls of fcn c with iflag = 0 are made. c c info is an integer output variable. if the user has c terminated execution, info is set to the (negative) c value of iflag. see description of fcn. otherwise, c info is set as follows. c c info = 0 improper input parameters. c c info = 1 relative error between two consecutive iterates c is at most xtol. c c info = 2 number of calls to fcn with iflag = 1 has c reached maxfev. c c info = 3 xtol is too small. no further improvement in c the approximate solution x is possible. c c info = 4 iteration is not making good progress, as c measured by the improvement from the last c five jacobian evaluations. c c info = 5 iteration is not making good progress, as c measured by the improvement from the last c ten iterations. c c nfev is an integer output variable set to the number of c calls to fcn with iflag = 1. c c njev is an integer output variable set to the number of c calls to fcn with iflag = 2. c c r is an output array of length lr which contains the c upper triangular matrix produced by the qr factorization c of the final approximate jacobian, stored rowwise. c c lr is a positive integer input variable not less than c (n*(n+1))/2. c c qtf is an output array of length n which contains c the vector (q transpose)*fvec. c c wa1, wa2, wa3, and wa4 are work arrays of length n. c c subprograms called c c user-supplied ...... fcn c c minpack-supplied ... dogleg,dpmpar,enorm, c qform,qrfac,r1mpyq,r1updt c c fortran-supplied ... dabs,dmax1,dmin1,mod c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer i,iflag,iter,j,jm1,l,ncfail,ncsuc,nslow1,nslow2 integer iwa(1) logical jeval,sing double precision actred,delta,epsmch,fnorm,fnorm1,one,pnorm, * prered,p1,p5,p001,p0001,ratio,sum,temp,xnorm, * zero double precision dpmpar,enorm data one,p1,p5,p001,p0001,zero * /1.0d0,1.0d-1,5.0d-1,1.0d-3,1.0d-4,0.0d0/ c c epsmch is the machine precision. c epsmch = dpmpar(1) c info = 0 iflag = 0 nfev = 0 njev = 0 c c check the input parameters for errors. c if (n .le. 0 .or. ldfjac .lt. n .or. xtol .lt. zero * .or. maxfev .le. 0 .or. factor .le. zero * .or. lr .lt. (n*(n + 1))/2) go to 300 if (mode .ne. 2) go to 20 do 10 j = 1, n if (diag(j) .le. zero) go to 300 10 continue 20 continue c c evaluate the function at the starting point c and calculate its norm. c iflag = 1 call fcn(n,x,fvec,fjac,ldfjac,iflag) nfev = 1 if (iflag .lt. 0) go to 300 fnorm = enorm(n,fvec) c c initialize iteration counter and monitors. c iter = 1 ncsuc = 0 ncfail = 0 nslow1 = 0 nslow2 = 0 c c beginning of the outer loop. c 30 continue jeval = .true. c c calculate the jacobian matrix. c iflag = 2 call fcn(n,x,fvec,fjac,ldfjac,iflag) njev = njev + 1 if (iflag .lt. 0) go to 300 c c compute the qr factorization of the jacobian. c call qrfac(n,n,fjac,ldfjac,.false.,iwa,1,wa1,wa2,wa3) c c on the first iteration and if mode is 1, scale according c to the norms of the columns of the initial jacobian. c if (iter .ne. 1) go to 70 if (mode .eq. 2) go to 50 do 40 j = 1, n diag(j) = wa2(j) if (wa2(j) .eq. zero) diag(j) = one 40 continue 50 continue c c on the first iteration, calculate the norm of the scaled x c and initialize the step bound delta. c do 60 j = 1, n wa3(j) = diag(j)*x(j) 60 continue xnorm = enorm(n,wa3) delta = factor*xnorm if (delta .eq. zero) delta = factor 70 continue c c form (q transpose)*fvec and store in qtf. c do 80 i = 1, n qtf(i) = fvec(i) 80 continue do 120 j = 1, n if (fjac(j,j) .eq. zero) go to 110 sum = zero do 90 i = j, n sum = sum + fjac(i,j)*qtf(i) 90 continue temp = -sum/fjac(j,j) do 100 i = j, n qtf(i) = qtf(i) + fjac(i,j)*temp 100 continue 110 continue 120 continue c c copy the triangular factor of the qr factorization into r. c sing = .false. do 150 j = 1, n l = j jm1 = j - 1 if (jm1 .lt. 1) go to 140 do 130 i = 1, jm1 r(l) = fjac(i,j) l = l + n - i 130 continue 140 continue r(l) = wa1(j) if (wa1(j) .eq. zero) sing = .true. 150 continue c c accumulate the orthogonal factor in fjac. c call qform(n,n,fjac,ldfjac,wa1) c c rescale if necessary. c if (mode .eq. 2) go to 170 do 160 j = 1, n diag(j) = dmax1(diag(j),wa2(j)) 160 continue 170 continue c c beginning of the inner loop. c 180 continue c c if requested, call fcn to enable printing of iterates. c if (nprint .le. 0) go to 190 iflag = 0 if (mod(iter-1,nprint) .eq. 0) * call fcn(n,x,fvec,fjac,ldfjac,iflag) if (iflag .lt. 0) go to 300 190 continue c c determine the direction p. c call dogleg(n,r,lr,diag,qtf,delta,wa1,wa2,wa3) c c store the direction p and x + p. calculate the norm of p. c do 200 j = 1, n wa1(j) = -wa1(j) wa2(j) = x(j) + wa1(j) wa3(j) = diag(j)*wa1(j) 200 continue pnorm = enorm(n,wa3) c c on the first iteration, adjust the initial step bound. c if (iter .eq. 1) delta = dmin1(delta,pnorm) c c evaluate the function at x + p and calculate its norm. c iflag = 1 call fcn(n,wa2,wa4,fjac,ldfjac,iflag) nfev = nfev + 1 if (iflag .lt. 0) go to 300 fnorm1 = enorm(n,wa4) c c compute the scaled actual reduction. c actred = -one if (fnorm1 .lt. fnorm) actred = one - (fnorm1/fnorm)**2 c c compute the scaled predicted reduction. c l = 1 do 220 i = 1, n sum = zero do 210 j = i, n sum = sum + r(l)*wa1(j) l = l + 1 210 continue wa3(i) = qtf(i) + sum 220 continue temp = enorm(n,wa3) prered = zero if (temp .lt. fnorm) prered = one - (temp/fnorm)**2 c c compute the ratio of the actual to the predicted c reduction. c ratio = zero if (prered .gt. zero) ratio = actred/prered c c update the step bound. c if (ratio .ge. p1) go to 230 ncsuc = 0 ncfail = ncfail + 1 delta = p5*delta go to 240 230 continue ncfail = 0 ncsuc = ncsuc + 1 if (ratio .ge. p5 .or. ncsuc .gt. 1) * delta = dmax1(delta,pnorm/p5) if (dabs(ratio-one) .le. p1) delta = pnorm/p5 240 continue c c test for successful iteration. c if (ratio .lt. p0001) go to 260 c c successful iteration. update x, fvec, and their norms. c do 250 j = 1, n x(j) = wa2(j) wa2(j) = diag(j)*x(j) fvec(j) = wa4(j) 250 continue xnorm = enorm(n,wa2) fnorm = fnorm1 iter = iter + 1 260 continue c c determine the progress of the iteration. c nslow1 = nslow1 + 1 if (actred .ge. p001) nslow1 = 0 if (jeval) nslow2 = nslow2 + 1 if (actred .ge. p1) nslow2 = 0 c c test for convergence. c if (delta .le. xtol*xnorm .or. fnorm .eq. zero) info = 1 if (info .ne. 0) go to 300 c c tests for termination and stringent tolerances. c if (nfev .ge. maxfev) info = 2 if (p1*dmax1(p1*delta,pnorm) .le. epsmch*xnorm) info = 3 if (nslow2 .eq. 5) info = 4 if (nslow1 .eq. 10) info = 5 if (info .ne. 0) go to 300 c c criterion for recalculating jacobian. c if (ncfail .eq. 2) go to 290 c c calculate the rank one modification to the jacobian c and update qtf if necessary. c do 280 j = 1, n sum = zero do 270 i = 1, n sum = sum + fjac(i,j)*wa4(i) 270 continue wa2(j) = (sum - wa3(j))/pnorm wa1(j) = diag(j)*((diag(j)*wa1(j))/pnorm) if (ratio .ge. p0001) qtf(j) = sum 280 continue c c compute the qr factorization of the updated jacobian. c call r1updt(n,n,r,lr,wa1,wa2,wa3,sing) call r1mpyq(n,n,fjac,ldfjac,wa2,wa3) call r1mpyq(1,n,qtf,1,wa2,wa3) c c end of the inner loop. c jeval = .false. go to 180 290 continue c c end of the outer loop. c go to 30 300 continue c c termination, either normal or user imposed. c if (iflag .lt. 0) info = iflag iflag = 0 if (nprint .gt. 0) call fcn(n,x,fvec,fjac,ldfjac,iflag) return c c last card of subroutine hybrj. c end subroutine hybrj1(fcn,n,x,fvec,fjac,ldfjac,tol,info,wa,lwa) integer n,ldfjac,info,lwa double precision tol double precision x(n),fvec(n),fjac(ldfjac,n),wa(lwa) external fcn c*********************************************************************72 c cc HYBRJ1 seeks a zero of N nonlinear equations in N variables by Powell's method. c c the purpose of hybrj1 is to find a zero of a system of c n nonlinear functions in n variables by a modification c of the powell hybrid method. this is done by using the c more general nonlinear equation solver hybrj. the user c must provide a subroutine which calculates the functions c and the jacobian. c c the subroutine statement is c c subroutine hybrj1(fcn,n,x,fvec,fjac,ldfjac,tol,info,wa,lwa) c c where c c fcn is the name of the user-supplied subroutine which c calculates the functions and the jacobian. fcn must c be declared in an external statement in the user c calling program, and should be written as follows. c c subroutine fcn(n,x,fvec,fjac,ldfjac,iflag) c integer n,ldfjac,iflag c double precision x(n),fvec(n),fjac(ldfjac,n) c ---------- c if iflag = 1 calculate the functions at x and c return this vector in fvec. do not alter fjac. c if iflag = 2 calculate the jacobian at x and c return this matrix in fjac. do not alter fvec. c --------- c return c end c c the value of iflag should not be changed by fcn unless c the user wants to terminate execution of hybrj1. c in this case set iflag to a negative integer. c c n is a positive integer input variable set to the number c of functions and variables. c c x is an array of length n. on input x must contain c an initial estimate of the solution vector. on output x c contains the final estimate of the solution vector. c c fvec is an output array of length n which contains c the functions evaluated at the output x. c c fjac is an output n by n array which contains the c orthogonal matrix q produced by the qr factorization c of the final approximate jacobian. c c ldfjac is a positive integer input variable not less than n c which specifies the leading dimension of the array fjac. c c tol is a nonnegative input variable. termination occurs c when the algorithm estimates that the relative error c between x and the solution is at most tol. c c info is an integer output variable. if the user has c terminated execution, info is set to the (negative) c value of iflag. see description of fcn. otherwise, c info is set as follows. c c info = 0 improper input parameters. c c info = 1 algorithm estimates that the relative error c between x and the solution is at most tol. c c info = 2 number of calls to fcn with iflag = 1 has c reached 100*(n+1). c c info = 3 tol is too small. no further improvement in c the approximate solution x is possible. c c info = 4 iteration is not making good progress. c c wa is a work array of length lwa. c c lwa is a positive integer input variable not less than c (n*(n+13))/2. c c subprograms called c c user-supplied ...... fcn c c minpack-supplied ... hybrj c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer j,lr,maxfev,mode,nfev,njev,nprint double precision factor,one,xtol,zero data factor,one,zero /1.0d2,1.0d0,0.0d0/ info = 0 c c check the input parameters for errors. c if (n .le. 0 .or. ldfjac .lt. n .or. tol .lt. zero * .or. lwa .lt. (n*(n + 13))/2) go to 20 c c call hybrj. c maxfev = 100*(n + 1) xtol = tol mode = 2 do 10 j = 1, n wa(j) = one 10 continue nprint = 0 lr = (n*(n + 1))/2 call hybrj(fcn,n,x,fvec,fjac,ldfjac,xtol,maxfev,wa(1),mode, * factor,nprint,info,nfev,njev,wa(6*n+1),lr,wa(n+1), * wa(2*n+1),wa(3*n+1),wa(4*n+1),wa(5*n+1)) if (info .eq. 5) info = 4 20 continue return c c last card of subroutine hybrj1. c end subroutine lmder(fcn,m,n,x,fvec,fjac,ldfjac,ftol,xtol,gtol, * maxfev,diag,mode,factor,nprint,info,nfev,njev, * ipvt,qtf,wa1,wa2,wa3,wa4) integer m,n,ldfjac,maxfev,mode,nprint,info,nfev,njev integer ipvt(n) double precision ftol,xtol,gtol,factor double precision x(n),fvec(m),fjac(ldfjac,n),diag(n),qtf(n), * wa1(n),wa2(n),wa3(n),wa4(m) c*********************************************************************72 c cc LMDER minimizes M functions in N variables by the Levenberg-Marquardt method. c c the purpose of lmder is to minimize the sum of the squares of c m nonlinear functions in n variables by a modification of c the levenberg-marquardt algorithm. the user must provide a c subroutine which calculates the functions and the jacobian. c c the subroutine statement is c c subroutine lmder(fcn,m,n,x,fvec,fjac,ldfjac,ftol,xtol,gtol, c maxfev,diag,mode,factor,nprint,info,nfev, c njev,ipvt,qtf,wa1,wa2,wa3,wa4) c c where c c fcn is the name of the user-supplied subroutine which c calculates the functions and the jacobian. fcn must c be declared in an external statement in the user c calling program, and should be written as follows. c c subroutine fcn(m,n,x,fvec,fjac,ldfjac,iflag) c integer m,n,ldfjac,iflag c double precision x(n),fvec(m),fjac(ldfjac,n) c ---------- c if iflag = 1 calculate the functions at x and c return this vector in fvec. do not alter fjac. c if iflag = 2 calculate the jacobian at x and c return this matrix in fjac. do not alter fvec. c ---------- c return c end c c the value of iflag should not be changed by fcn unless c the user wants to terminate execution of lmder. c in this case set iflag to a negative integer. c c m is a positive integer input variable set to the number c of functions. c c n is a positive integer input variable set to the number c of variables. n must not exceed m. c c x is an array of length n. on input x must contain c an initial estimate of the solution vector. on output x c contains the final estimate of the solution vector. c c fvec is an output array of length m which contains c the functions evaluated at the output x. c c fjac is an output m by n array. the upper n by n submatrix c of fjac contains an upper triangular matrix r with c diagonal elements of nonincreasing magnitude such that c c t t t c p *(jac *jac)*p = r *r, c c where p is a permutation matrix and jac is the final c calculated jacobian. column j of p is column ipvt(j) c (see below) of the identity matrix. the lower trapezoidal c part of fjac contains information generated during c the computation of r. c c ldfjac is a positive integer input variable not less than m c which specifies the leading dimension of the array fjac. c c ftol is a nonnegative input variable. termination c occurs when both the actual and predicted relative c reductions in the sum of squares are at most ftol. c therefore, ftol measures the relative error desired c in the sum of squares. c c xtol is a nonnegative input variable. termination c occurs when the relative error between two consecutive c iterates is at most xtol. therefore, xtol measures the c relative error desired in the approximate solution. c c gtol is a nonnegative input variable. termination c occurs when the cosine of the angle between fvec and c any column of the jacobian is at most gtol in absolute c value. therefore, gtol measures the orthogonality c desired between the function vector and the columns c of the jacobian. c c maxfev is a positive integer input variable. termination c occurs when the number of calls to fcn with iflag = 1 c has reached maxfev. c c diag is an array of length n. if mode = 1 (see c below), diag is internally set. if mode = 2, diag c must contain positive entries that serve as c multiplicative scale factors for the variables. c c mode is an integer input variable. if mode = 1, the c variables will be scaled internally. if mode = 2, c the scaling is specified by the input diag. other c values of mode are equivalent to mode = 1. c c factor is a positive input variable used in determining the c initial step bound. this bound is set to the product of c factor and the euclidean norm of diag*x if nonzero, or else c to factor itself. in most cases factor should lie in the c interval (.1,100.).100. is a generally recommended value. c c nprint is an integer input variable that enables controlled c printing of iterates if it is positive. in this case, c fcn is called with iflag = 0 at the beginning of the first c iteration and every nprint iterations thereafter and c immediately prior to return, with x, fvec, and fjac c available for printing. fvec and fjac should not be c altered. if nprint is not positive, no special calls c of fcn with iflag = 0 are made. c c info is an integer output variable. if the user has c terminated execution, info is set to the (negative) c value of iflag. see description of fcn. otherwise, c info is set as follows. c c info = 0 improper input parameters. c c info = 1 both actual and predicted relative reductions c in the sum of squares are at most ftol. c c info = 2 relative error between two consecutive iterates c is at most xtol. c c info = 3 conditions for info = 1 and info = 2 both hold. c c info = 4 the cosine of the angle between fvec and any c column of the jacobian is at most gtol in c absolute value. c c info = 5 number of calls to fcn with iflag = 1 has c reached maxfev. c c info = 6 ftol is too small. no further reduction in c the sum of squares is possible. c c info = 7 xtol is too small. no further improvement in c the approximate solution x is possible. c c info = 8 gtol is too small. fvec is orthogonal to the c columns of the jacobian to machine precision. c c nfev is an integer output variable set to the number of c calls to fcn with iflag = 1. c c njev is an integer output variable set to the number of c calls to fcn with iflag = 2. c c ipvt is an integer output array of length n. ipvt c defines a permutation matrix p such that jac*p = q*r, c where jac is the final calculated jacobian, q is c orthogonal (not stored), and r is upper triangular c with diagonal elements of nonincreasing magnitude. c column j of p is column ipvt(j) of the identity matrix. c c qtf is an output array of length n which contains c the first n elements of the vector (q transpose)*fvec. c c wa1, wa2, and wa3 are work arrays of length n. c c wa4 is a work array of length m. c c subprograms called c c user-supplied ...... fcn c c minpack-supplied ... dpmpar,enorm,lmpar,qrfac c c fortran-supplied ... dabs,dmax1,dmin1,dsqrt,mod c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer i,iflag,iter,j,l double precision actred,delta,dirder,epsmch,fnorm,fnorm1,gnorm, * one,par,pnorm,prered,p1,p5,p25,p75,p0001,ratio, * sum,temp,temp1,temp2,xnorm,zero double precision dpmpar,enorm data one,p1,p5,p25,p75,p0001,zero * /1.0d0,1.0d-1,5.0d-1,2.5d-1,7.5d-1,1.0d-4,0.0d0/ c c epsmch is the machine precision. c epsmch = dpmpar(1) c info = 0 iflag = 0 nfev = 0 njev = 0 c c check the input parameters for errors. c if (n .le. 0 .or. m .lt. n .or. ldfjac .lt. m * .or. ftol .lt. zero .or. xtol .lt. zero .or. gtol .lt. zero * .or. maxfev .le. 0 .or. factor .le. zero) go to 300 if (mode .ne. 2) go to 20 do 10 j = 1, n if (diag(j) .le. zero) go to 300 10 continue 20 continue c c evaluate the function at the starting point c and calculate its norm. c iflag = 1 call fcn(m,n,x,fvec,fjac,ldfjac,iflag) nfev = 1 if (iflag .lt. 0) go to 300 fnorm = enorm(m,fvec) c c initialize levenberg-marquardt parameter and iteration counter. c par = zero iter = 1 c c beginning of the outer loop. c 30 continue c c calculate the jacobian matrix. c iflag = 2 call fcn(m,n,x,fvec,fjac,ldfjac,iflag) njev = njev + 1 if (iflag .lt. 0) go to 300 c c if requested, call fcn to enable printing of iterates. c if (nprint .le. 0) go to 40 iflag = 0 if (mod(iter-1,nprint) .eq. 0) * call fcn(m,n,x,fvec,fjac,ldfjac,iflag) if (iflag .lt. 0) go to 300 40 continue c c compute the qr factorization of the jacobian. c call qrfac(m,n,fjac,ldfjac,.true.,ipvt,n,wa1,wa2,wa3) c c on the first iteration and if mode is 1, scale according c to the norms of the columns of the initial jacobian. c if (iter .ne. 1) go to 80 if (mode .eq. 2) go to 60 do 50 j = 1, n diag(j) = wa2(j) if (wa2(j) .eq. zero) diag(j) = one 50 continue 60 continue c c on the first iteration, calculate the norm of the scaled x c and initialize the step bound delta. c do 70 j = 1, n wa3(j) = diag(j)*x(j) 70 continue xnorm = enorm(n,wa3) delta = factor*xnorm if (delta .eq. zero) delta = factor 80 continue c c form (q transpose)*fvec and store the first n components in c qtf. c do 90 i = 1, m wa4(i) = fvec(i) 90 continue do 130 j = 1, n if (fjac(j,j) .eq. zero) go to 120 sum = zero do 100 i = j, m sum = sum + fjac(i,j)*wa4(i) 100 continue temp = -sum/fjac(j,j) do 110 i = j, m wa4(i) = wa4(i) + fjac(i,j)*temp 110 continue 120 continue fjac(j,j) = wa1(j) qtf(j) = wa4(j) 130 continue c c compute the norm of the scaled gradient. c gnorm = zero if (fnorm .eq. zero) go to 170 do 160 j = 1, n l = ipvt(j) if (wa2(l) .eq. zero) go to 150 sum = zero do 140 i = 1, j sum = sum + fjac(i,j)*(qtf(i)/fnorm) 140 continue gnorm = dmax1(gnorm,dabs(sum/wa2(l))) 150 continue 160 continue 170 continue c c test for convergence of the gradient norm. c if (gnorm .le. gtol) info = 4 if (info .ne. 0) go to 300 c c rescale if necessary. c if (mode .eq. 2) go to 190 do 180 j = 1, n diag(j) = dmax1(diag(j),wa2(j)) 180 continue 190 continue c c beginning of the inner loop. c 200 continue c c determine the levenberg-marquardt parameter. c call lmpar(n,fjac,ldfjac,ipvt,diag,qtf,delta,par,wa1,wa2, * wa3,wa4) c c store the direction p and x + p. calculate the norm of p. c do 210 j = 1, n wa1(j) = -wa1(j) wa2(j) = x(j) + wa1(j) wa3(j) = diag(j)*wa1(j) 210 continue pnorm = enorm(n,wa3) c c on the first iteration, adjust the initial step bound. c if (iter .eq. 1) delta = dmin1(delta,pnorm) c c evaluate the function at x + p and calculate its norm. c iflag = 1 call fcn(m,n,wa2,wa4,fjac,ldfjac,iflag) nfev = nfev + 1 if (iflag .lt. 0) go to 300 fnorm1 = enorm(m,wa4) c c compute the scaled actual reduction. c actred = -one if (p1*fnorm1 .lt. fnorm) actred = one - (fnorm1/fnorm)**2 c c compute the scaled predicted reduction and c the scaled directional derivative. c do 230 j = 1, n wa3(j) = zero l = ipvt(j) temp = wa1(l) do 220 i = 1, j wa3(i) = wa3(i) + fjac(i,j)*temp 220 continue 230 continue temp1 = enorm(n,wa3)/fnorm temp2 = (dsqrt(par)*pnorm)/fnorm prered = temp1**2 + temp2**2/p5 dirder = -(temp1**2 + temp2**2) c c compute the ratio of the actual to the predicted c reduction. c ratio = zero if (prered .ne. zero) ratio = actred/prered c c update the step bound. c if (ratio .gt. p25) go to 240 if (actred .ge. zero) temp = p5 if (actred .lt. zero) * temp = p5*dirder/(dirder + p5*actred) if (p1*fnorm1 .ge. fnorm .or. temp .lt. p1) temp = p1 delta = temp*dmin1(delta,pnorm/p1) par = par/temp go to 260 240 continue if (par .ne. zero .and. ratio .lt. p75) go to 250 delta = pnorm/p5 par = p5*par 250 continue 260 continue c c test for successful iteration. c if (ratio .lt. p0001) go to 290 c c successful iteration. update x, fvec, and their norms. c do 270 j = 1, n x(j) = wa2(j) wa2(j) = diag(j)*x(j) 270 continue do 280 i = 1, m fvec(i) = wa4(i) 280 continue xnorm = enorm(n,wa2) fnorm = fnorm1 iter = iter + 1 290 continue c c tests for convergence. c if (dabs(actred) .le. ftol .and. prered .le. ftol * .and. p5*ratio .le. one) info = 1 if (delta .le. xtol*xnorm) info = 2 if (dabs(actred) .le. ftol .and. prered .le. ftol * .and. p5*ratio .le. one .and. info .eq. 2) info = 3 if (info .ne. 0) go to 300 c c tests for termination and stringent tolerances. c if (nfev .ge. maxfev) info = 5 if (dabs(actred) .le. epsmch .and. prered .le. epsmch * .and. p5*ratio .le. one) info = 6 if (delta .le. epsmch*xnorm) info = 7 if (gnorm .le. epsmch) info = 8 if (info .ne. 0) go to 300 c c end of the inner loop. repeat if iteration unsuccessful. c if (ratio .lt. p0001) go to 200 c c end of the outer loop. c go to 30 300 continue c c termination, either normal or user imposed. c if (iflag .lt. 0) info = iflag iflag = 0 if (nprint .gt. 0) call fcn(m,n,x,fvec,fjac,ldfjac,iflag) return c c last card of subroutine lmder. c end subroutine lmder1(fcn,m,n,x,fvec,fjac,ldfjac,tol,info,ipvt,wa, * lwa) integer m,n,ldfjac,info,lwa integer ipvt(n) double precision tol double precision x(n),fvec(m),fjac(ldfjac,n),wa(lwa) external fcn c*********************************************************************72 c cc LMDER1 minimizes M functions in N variables by the Levenberg-Marquardt method. c c the purpose of lmder1 is to minimize the sum of the squares of c m nonlinear functions in n variables by a modification of the c levenberg-marquardt algorithm. this is done by using the more c general least-squares solver lmder. the user must provide a c subroutine which calculates the functions and the jacobian. c c the subroutine statement is c c subroutine lmder1(fcn,m,n,x,fvec,fjac,ldfjac,tol,info, c ipvt,wa,lwa) c c where c c fcn is the name of the user-supplied subroutine which c calculates the functions and the jacobian. fcn must c be declared in an external statement in the user c calling program, and should be written as follows. c c subroutine fcn(m,n,x,fvec,fjac,ldfjac,iflag) c integer m,n,ldfjac,iflag c double precision x(n),fvec(m),fjac(ldfjac,n) c ---------- c if iflag = 1 calculate the functions at x and c return this vector in fvec. do not alter fjac. c if iflag = 2 calculate the jacobian at x and c return this matrix in fjac. do not alter fvec. c ---------- c return c end c c the value of iflag should not be changed by fcn unless c the user wants to terminate execution of lmder1. c in this case set iflag to a negative integer. c c m is a positive integer input variable set to the number c of functions. c c n is a positive integer input variable set to the number c of variables. n must not exceed m. c c x is an array of length n. on input x must contain c an initial estimate of the solution vector. on output x c contains the final estimate of the solution vector. c c fvec is an output array of length m which contains c the functions evaluated at the output x. c c fjac is an output m by n array. the upper n by n submatrix c of fjac contains an upper triangular matrix r with c diagonal elements of nonincreasing magnitude such that c c t t t c p *(jac *jac)*p = r *r, c c where p is a permutation matrix and jac is the final c calculated jacobian. column j of p is column ipvt(j) c (see below) of the identity matrix. the lower trapezoidal c part of fjac contains information generated during c the computation of r. c c ldfjac is a positive integer input variable not less than m c which specifies the leading dimension of the array fjac. c c tol is a nonnegative input variable. termination occurs c when the algorithm estimates either that the relative c error in the sum of squares is at most tol or that c the relative error between x and the solution is at c most tol. c c info is an integer output variable. if the user has c terminated execution, info is set to the (negative) c value of iflag. see description of fcn. otherwise, c info is set as follows. c c info = 0 improper input parameters. c c info = 1 algorithm estimates that the relative error c in the sum of squares is at most tol. c c info = 2 algorithm estimates that the relative error c between x and the solution is at most tol. c c info = 3 conditions for info = 1 and info = 2 both hold. c c info = 4 fvec is orthogonal to the columns of the c jacobian to machine precision. c c info = 5 number of calls to fcn with iflag = 1 has c reached 100*(n+1). c c info = 6 tol is too small. no further reduction in c the sum of squares is possible. c c info = 7 tol is too small. no further improvement in c the approximate solution x is possible. c c ipvt is an integer output array of length n. ipvt c defines a permutation matrix p such that jac*p = q*r, c where jac is the final calculated jacobian, q is c orthogonal (not stored), and r is upper triangular c with diagonal elements of nonincreasing magnitude. c column j of p is column ipvt(j) of the identity matrix. c c wa is a work array of length lwa. c c lwa is a positive integer input variable not less than 5*n+m. c c subprograms called c c user-supplied ...... fcn c c minpack-supplied ... lmder c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer maxfev,mode,nfev,njev,nprint double precision factor,ftol,gtol,xtol,zero data factor,zero /1.0d2,0.0d0/ info = 0 c c check the input parameters for errors. c if (n .le. 0 .or. m .lt. n .or. ldfjac .lt. m .or. tol .lt. zero * .or. lwa .lt. 5*n + m) go to 10 c c call lmder. c maxfev = 100*(n + 1) ftol = tol xtol = tol gtol = zero mode = 1 nprint = 0 call lmder(fcn,m,n,x,fvec,fjac,ldfjac,ftol,xtol,gtol,maxfev, * wa(1),mode,factor,nprint,info,nfev,njev,ipvt,wa(n+1), * wa(2*n+1),wa(3*n+1),wa(4*n+1),wa(5*n+1)) if (info .eq. 8) info = 4 10 continue return c c last card of subroutine lmder1. c end subroutine lmdif(fcn,m,n,x,fvec,ftol,xtol,gtol,maxfev,epsfcn, * diag,mode,factor,nprint,info,nfev,fjac,ldfjac, * ipvt,qtf,wa1,wa2,wa3,wa4) integer m,n,maxfev,mode,nprint,info,nfev,ldfjac integer ipvt(n) double precision ftol,xtol,gtol,epsfcn,factor double precision x(n),fvec(m),diag(n),fjac(ldfjac,n),qtf(n), * wa1(n),wa2(n),wa3(n),wa4(m) external fcn c*********************************************************************72 c cc LMDIF minimizes M functions in N variables by the Levenberg-Marquardt method. c c the purpose of lmdif is to minimize the sum of the squares of c m nonlinear functions in n variables by a modification of c the levenberg-marquardt algorithm. the user must provide a c subroutine which calculates the functions. the jacobian is c then calculated by a forward-difference approximation. c c the subroutine statement is c c subroutine lmdif(fcn,m,n,x,fvec,ftol,xtol,gtol,maxfev,epsfcn, c diag,mode,factor,nprint,info,nfev,fjac, c ldfjac,ipvt,qtf,wa1,wa2,wa3,wa4) c c where c c fcn is the name of the user-supplied subroutine which c calculates the functions. fcn must be declared c in an external statement in the user calling c program, and should be written as follows. c c subroutine fcn(m,n,x,fvec,iflag) c integer m,n,iflag c double precision x(n),fvec(m) c ---------- c calculate the functions at x and c return this vector in fvec. c ---------- c return c end c c the value of iflag should not be changed by fcn unless c the user wants to terminate execution of lmdif. c in this case set iflag to a negative integer. c c m is a positive integer input variable set to the number c of functions. c c n is a positive integer input variable set to the number c of variables. n must not exceed m. c c x is an array of length n. on input x must contain c an initial estimate of the solution vector. on output x c contains the final estimate of the solution vector. c c fvec is an output array of length m which contains c the functions evaluated at the output x. c c ftol is a nonnegative input variable. termination c occurs when both the actual and predicted relative c reductions in the sum of squares are at most ftol. c therefore, ftol measures the relative error desired c in the sum of squares. c c xtol is a nonnegative input variable. termination c occurs when the relative error between two consecutive c iterates is at most xtol. therefore, xtol measures the c relative error desired in the approximate solution. c c gtol is a nonnegative input variable. termination c occurs when the cosine of the angle between fvec and c any column of the jacobian is at most gtol in absolute c value. therefore, gtol measures the orthogonality c desired between the function vector and the columns c of the jacobian. c c maxfev is a positive integer input variable. termination c occurs when the number of calls to fcn is at least c maxfev by the end of an iteration. c c epsfcn is an input variable used in determining a suitable c step length for the forward-difference approximation. this c approximation assumes that the relative errors in the c functions are of the order of epsfcn. if epsfcn is less c than the machine precision, it is assumed that the relative c errors in the functions are of the order of the machine c precision. c c diag is an array of length n. if mode = 1 (see c below), diag is internally set. if mode = 2, diag c must contain positive entries that serve as c multiplicative scale factors for the variables. c c mode is an integer input variable. if mode = 1, the c variables will be scaled internally. if mode = 2, c the scaling is specified by the input diag. other c values of mode are equivalent to mode = 1. c c factor is a positive input variable used in determining the c initial step bound. this bound is set to the product of c factor and the euclidean norm of diag*x if nonzero, or else c to factor itself. in most cases factor should lie in the c interval (.1,100.). 100. is a generally recommended value. c c nprint is an integer input variable that enables controlled c printing of iterates if it is positive. in this case, c fcn is called with iflag = 0 at the beginning of the first c iteration and every nprint iterations thereafter and c immediately prior to return, with x and fvec available c for printing. if nprint is not positive, no special calls c of fcn with iflag = 0 are made. c c info is an integer output variable. if the user has c terminated execution, info is set to the (negative) c value of iflag. see description of fcn. otherwise, c info is set as follows. c c info = 0 improper input parameters. c c info = 1 both actual and predicted relative reductions c in the sum of squares are at most ftol. c c info = 2 relative error between two consecutive iterates c is at most xtol. c c info = 3 conditions for info = 1 and info = 2 both hold. c c info = 4 the cosine of the angle between fvec and any c column of the jacobian is at most gtol in c absolute value. c c info = 5 number of calls to fcn has reached or c exceeded maxfev. c c info = 6 ftol is too small. no further reduction in c the sum of squares is possible. c c info = 7 xtol is too small. no further improvement in c the approximate solution x is possible. c c info = 8 gtol is too small. fvec is orthogonal to the c columns of the jacobian to machine precision. c c nfev is an integer output variable set to the number of c calls to fcn. c c fjac is an output m by n array. the upper n by n submatrix c of fjac contains an upper triangular matrix r with c diagonal elements of nonincreasing magnitude such that c c t t t c p *(jac *jac)*p = r *r, c c where p is a permutation matrix and jac is the final c calculated jacobian. column j of p is column ipvt(j) c (see below) of the identity matrix. the lower trapezoidal c part of fjac contains information generated during c the computation of r. c c ldfjac is a positive integer input variable not less than m c which specifies the leading dimension of the array fjac. c c ipvt is an integer output array of length n. ipvt c defines a permutation matrix p such that jac*p = q*r, c where jac is the final calculated jacobian, q is c orthogonal (not stored), and r is upper triangular c with diagonal elements of nonincreasing magnitude. c column j of p is column ipvt(j) of the identity matrix. c c qtf is an output array of length n which contains c the first n elements of the vector (q transpose)*fvec. c c wa1, wa2, and wa3 are work arrays of length n. c c wa4 is a work array of length m. c c subprograms called c c user-supplied ...... fcn c c minpack-supplied ... dpmpar,enorm,fdjac2,lmpar,qrfac c c fortran-supplied ... dabs,dmax1,dmin1,dsqrt,mod c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer i,iflag,iter,j,l double precision actred,delta,dirder,epsmch,fnorm,fnorm1,gnorm, * one,par,pnorm,prered,p1,p5,p25,p75,p0001,ratio, * sum,temp,temp1,temp2,xnorm,zero double precision dpmpar,enorm data one,p1,p5,p25,p75,p0001,zero * /1.0d0,1.0d-1,5.0d-1,2.5d-1,7.5d-1,1.0d-4,0.0d0/ c c epsmch is the machine precision. c epsmch = dpmpar(1) c info = 0 iflag = 0 nfev = 0 c c check the input parameters for errors. c if (n .le. 0 .or. m .lt. n .or. ldfjac .lt. m * .or. ftol .lt. zero .or. xtol .lt. zero .or. gtol .lt. zero * .or. maxfev .le. 0 .or. factor .le. zero) go to 300 if (mode .ne. 2) go to 20 do 10 j = 1, n if (diag(j) .le. zero) go to 300 10 continue 20 continue c c evaluate the function at the starting point c and calculate its norm. c iflag = 1 call fcn(m,n,x,fvec,iflag) nfev = 1 if (iflag .lt. 0) go to 300 fnorm = enorm(m,fvec) c c initialize levenberg-marquardt parameter and iteration counter. c par = zero iter = 1 c c beginning of the outer loop. c 30 continue c c calculate the jacobian matrix. c iflag = 2 call fdjac2(fcn,m,n,x,fvec,fjac,ldfjac,iflag,epsfcn,wa4) nfev = nfev + n if (iflag .lt. 0) go to 300 c c if requested, call fcn to enable printing of iterates. c if (nprint .le. 0) go to 40 iflag = 0 if (mod(iter-1,nprint) .eq. 0) call fcn(m,n,x,fvec,iflag) if (iflag .lt. 0) go to 300 40 continue c c compute the qr factorization of the jacobian. c call qrfac(m,n,fjac,ldfjac,.true.,ipvt,n,wa1,wa2,wa3) c c on the first iteration and if mode is 1, scale according c to the norms of the columns of the initial jacobian. c if (iter .ne. 1) go to 80 if (mode .eq. 2) go to 60 do 50 j = 1, n diag(j) = wa2(j) if (wa2(j) .eq. zero) diag(j) = one 50 continue 60 continue c c on the first iteration, calculate the norm of the scaled x c and initialize the step bound delta. c do 70 j = 1, n wa3(j) = diag(j)*x(j) 70 continue xnorm = enorm(n,wa3) delta = factor*xnorm if (delta .eq. zero) delta = factor 80 continue c c form (q transpose)*fvec and store the first n components in c qtf. c do 90 i = 1, m wa4(i) = fvec(i) 90 continue do 130 j = 1, n if (fjac(j,j) .eq. zero) go to 120 sum = zero do 100 i = j, m sum = sum + fjac(i,j)*wa4(i) 100 continue temp = -sum/fjac(j,j) do 110 i = j, m wa4(i) = wa4(i) + fjac(i,j)*temp 110 continue 120 continue fjac(j,j) = wa1(j) qtf(j) = wa4(j) 130 continue c c compute the norm of the scaled gradient. c gnorm = zero if (fnorm .eq. zero) go to 170 do 160 j = 1, n l = ipvt(j) if (wa2(l) .eq. zero) go to 150 sum = zero do 140 i = 1, j sum = sum + fjac(i,j)*(qtf(i)/fnorm) 140 continue gnorm = dmax1(gnorm,dabs(sum/wa2(l))) 150 continue 160 continue 170 continue c c test for convergence of the gradient norm. c if (gnorm .le. gtol) info = 4 if (info .ne. 0) go to 300 c c rescale if necessary. c if (mode .eq. 2) go to 190 do 180 j = 1, n diag(j) = dmax1(diag(j),wa2(j)) 180 continue 190 continue c c beginning of the inner loop. c 200 continue c c determine the levenberg-marquardt parameter. c call lmpar(n,fjac,ldfjac,ipvt,diag,qtf,delta,par,wa1,wa2, * wa3,wa4) c c store the direction p and x + p. calculate the norm of p. c do 210 j = 1, n wa1(j) = -wa1(j) wa2(j) = x(j) + wa1(j) wa3(j) = diag(j)*wa1(j) 210 continue pnorm = enorm(n,wa3) c c on the first iteration, adjust the initial step bound. c if (iter .eq. 1) delta = dmin1(delta,pnorm) c c evaluate the function at x + p and calculate its norm. c iflag = 1 call fcn(m,n,wa2,wa4,iflag) nfev = nfev + 1 if (iflag .lt. 0) go to 300 fnorm1 = enorm(m,wa4) c c compute the scaled actual reduction. c actred = -one if (p1*fnorm1 .lt. fnorm) actred = one - (fnorm1/fnorm)**2 c c compute the scaled predicted reduction and c the scaled directional derivative. c do 230 j = 1, n wa3(j) = zero l = ipvt(j) temp = wa1(l) do 220 i = 1, j wa3(i) = wa3(i) + fjac(i,j)*temp 220 continue 230 continue temp1 = enorm(n,wa3)/fnorm temp2 = (dsqrt(par)*pnorm)/fnorm prered = temp1**2 + temp2**2/p5 dirder = -(temp1**2 + temp2**2) c c compute the ratio of the actual to the predicted c reduction. c ratio = zero if (prered .ne. zero) ratio = actred/prered c c update the step bound. c if (ratio .gt. p25) go to 240 if (actred .ge. zero) temp = p5 if (actred .lt. zero) * temp = p5*dirder/(dirder + p5*actred) if (p1*fnorm1 .ge. fnorm .or. temp .lt. p1) temp = p1 delta = temp*dmin1(delta,pnorm/p1) par = par/temp go to 260 240 continue if (par .ne. zero .and. ratio .lt. p75) go to 250 delta = pnorm/p5 par = p5*par 250 continue 260 continue c c test for successful iteration. c if (ratio .lt. p0001) go to 290 c c successful iteration. update x, fvec, and their norms. c do 270 j = 1, n x(j) = wa2(j) wa2(j) = diag(j)*x(j) 270 continue do 280 i = 1, m fvec(i) = wa4(i) 280 continue xnorm = enorm(n,wa2) fnorm = fnorm1 iter = iter + 1 290 continue c c tests for convergence. c if (dabs(actred) .le. ftol .and. prered .le. ftol * .and. p5*ratio .le. one) info = 1 if (delta .le. xtol*xnorm) info = 2 if (dabs(actred) .le. ftol .and. prered .le. ftol * .and. p5*ratio .le. one .and. info .eq. 2) info = 3 if (info .ne. 0) go to 300 c c tests for termination and stringent tolerances. c if (nfev .ge. maxfev) info = 5 if (dabs(actred) .le. epsmch .and. prered .le. epsmch * .and. p5*ratio .le. one) info = 6 if (delta .le. epsmch*xnorm) info = 7 if (gnorm .le. epsmch) info = 8 if (info .ne. 0) go to 300 c c end of the inner loop. repeat if iteration unsuccessful. c if (ratio .lt. p0001) go to 200 c c end of the outer loop. c go to 30 300 continue c c termination, either normal or user imposed. c if (iflag .lt. 0) info = iflag iflag = 0 if (nprint .gt. 0) call fcn(m,n,x,fvec,iflag) return c c last card of subroutine lmdif. c end subroutine lmdif1(fcn,m,n,x,fvec,tol,info,iwa,wa,lwa) integer m,n,info,lwa integer iwa(n) double precision tol double precision x(n),fvec(m),wa(lwa) external fcn c*********************************************************************72 c cc LMDIF1 minimizes M functions in N variables using the Levenberg-Marquardt method. c c the purpose of lmdif1 is to minimize the sum of the squares of c m nonlinear functions in n variables by a modification of the c levenberg-marquardt algorithm. this is done by using the more c general least-squares solver lmdif. the user must provide a c subroutine which calculates the functions. the jacobian is c then calculated by a forward-difference approximation. c c the subroutine statement is c c subroutine lmdif1(fcn,m,n,x,fvec,tol,info,iwa,wa,lwa) c c where c c fcn is the name of the user-supplied subroutine which c calculates the functions. fcn must be declared c in an external statement in the user calling c program, and should be written as follows. c c subroutine fcn(m,n,x,fvec,iflag) c integer m,n,iflag c double precision x(n),fvec(m) c ---------- c calculate the functions at x and c return this vector in fvec. c ---------- c return c end c c the value of iflag should not be changed by fcn unless c the user wants to terminate execution of lmdif1. c in this case set iflag to a negative integer. c c m is a positive integer input variable set to the number c of functions. c c n is a positive integer input variable set to the number c of variables. n must not exceed m. c c x is an array of length n. on input x must contain c an initial estimate of the solution vector. on output x c contains the final estimate of the solution vector. c c fvec is an output array of length m which contains c the functions evaluated at the output x. c c tol is a nonnegative input variable. termination occurs c when the algorithm estimates either that the relative c error in the sum of squares is at most tol or that c the relative error between x and the solution is at c most tol. c c info is an integer output variable. if the user has c terminated execution, info is set to the (negative) c value of iflag. see description of fcn. otherwise, c info is set as follows. c c info = 0 improper input parameters. c c info = 1 algorithm estimates that the relative error c in the sum of squares is at most tol. c c info = 2 algorithm estimates that the relative error c between x and the solution is at most tol. c c info = 3 conditions for info = 1 and info = 2 both hold. c c info = 4 fvec is orthogonal to the columns of the c jacobian to machine precision. c c info = 5 number of calls to fcn has reached or c exceeded 200*(n+1). c c info = 6 tol is too small. no further reduction in c the sum of squares is possible. c c info = 7 tol is too small. no further improvement in c the approximate solution x is possible. c c iwa is an integer work array of length n. c c wa is a work array of length lwa. c c lwa is a positive integer input variable not less than c m*n+5*n+m. c c subprograms called c c user-supplied ...... fcn c c minpack-supplied ... lmdif c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer maxfev,mode,mp5n,nfev,nprint double precision epsfcn,factor,ftol,gtol,xtol,zero data factor,zero /1.0d2,0.0d0/ info = 0 c c check the input parameters for errors. c if (n .le. 0 .or. m .lt. n .or. tol .lt. zero * .or. lwa .lt. m*n + 5*n + m) go to 10 c c call lmdif. c maxfev = 200*(n + 1) ftol = tol xtol = tol gtol = zero epsfcn = zero mode = 1 nprint = 0 mp5n = m + 5*n call lmdif(fcn,m,n,x,fvec,ftol,xtol,gtol,maxfev,epsfcn,wa(1), * mode,factor,nprint,info,nfev,wa(mp5n+1),m,iwa, * wa(n+1),wa(2*n+1),wa(3*n+1),wa(4*n+1),wa(5*n+1)) if (info .eq. 8) info = 4 10 continue return c c last card of subroutine lmdif1. c end subroutine lmpar(n,r,ldr,ipvt,diag,qtb,delta,par,x,sdiag,wa1, * wa2) integer n,ldr integer ipvt(n) double precision delta,par double precision r(ldr,n),diag(n),qtb(n),x(n),sdiag(n),wa1(n), * wa2(n) c*********************************************************************72 c cc LMPAR computes a parameter for the Levenberg-Marquardt method. c c given an m by n matrix a, an n by n nonsingular diagonal c matrix d, an m-vector b, and a positive number delta, c the problem is to determine a value for the parameter c par such that if x solves the system c c a*x = b , sqrt(par)*d*x = 0 , c c in the least squares sense, and dxnorm is the euclidean c norm of d*x, then either par is zero and c c (dxnorm-delta) .le. 0.1*delta , c c or par is positive and c c abs(dxnorm-delta) .le. 0.1*delta . c c this subroutine completes the solution of the problem c if it is provided with the necessary information from the c qr factorization, with column pivoting, of a. that is, if c a*p = q*r, where p is a permutation matrix, q has orthogonal c columns, and r is an upper triangular matrix with diagonal c elements of nonincreasing magnitude, then lmpar expects c the full upper triangle of r, the permutation matrix p, c and the first n components of (q transpose)*b. on output c lmpar also provides an upper triangular matrix s such that c c t t t c p *(a *a + par*d*d)*p = s *s . c c s is employed within lmpar and may be of separate interest. c c only a few iterations are generally needed for convergence c of the algorithm. if, however, the limit of 10 iterations c is reached, then the output par will contain the best c value obtained so far. c c the subroutine statement is c c subroutine lmpar(n,r,ldr,ipvt,diag,qtb,delta,par,x,sdiag, c wa1,wa2) c c where c c n is a positive integer input variable set to the order of r. c c r is an n by n array. on input the full upper triangle c must contain the full upper triangle of the matrix r. c on output the full upper triangle is unaltered, and the c strict lower triangle contains the strict upper triangle c (transposed) of the upper triangular matrix s. c c ldr is a positive integer input variable not less than n c which specifies the leading dimension of the array r. c c ipvt is an integer input array of length n which defines the c permutation matrix p such that a*p = q*r. column j of p c is column ipvt(j) of the identity matrix. c c diag is an input array of length n which must contain the c diagonal elements of the matrix d. c c qtb is an input array of length n which must contain the first c n elements of the vector (q transpose)*b. c c delta is a positive input variable which specifies an upper c bound on the euclidean norm of d*x. c c par is a nonnegative variable. on input par contains an c initial estimate of the levenberg-marquardt parameter. c on output par contains the final estimate. c c x is an output array of length n which contains the least c squares solution of the system a*x = b, sqrt(par)*d*x = 0, c for the output par. c c sdiag is an output array of length n which contains the c diagonal elements of the upper triangular matrix s. c c wa1 and wa2 are work arrays of length n. c c subprograms called c c minpack-supplied ... dpmpar,enorm,qrsolv c c fortran-supplied ... dabs,dmax1,dmin1,dsqrt c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer i,iter,j,jm1,jp1,k,l,nsing double precision dxnorm,dwarf,fp,gnorm,parc,parl,paru,p1,p001, * sum,temp,zero double precision dpmpar,enorm data p1,p001,zero /1.0d-1,1.0d-3,0.0d0/ c c dwarf is the smallest positive magnitude. c dwarf = dpmpar(2) c c compute and store in x the gauss-newton direction. if the c jacobian is rank-deficient, obtain a least squares solution. c nsing = n do 10 j = 1, n wa1(j) = qtb(j) if (r(j,j) .eq. zero .and. nsing .eq. n) nsing = j - 1 if (nsing .lt. n) wa1(j) = zero 10 continue if (nsing .lt. 1) go to 50 do 40 k = 1, nsing j = nsing - k + 1 wa1(j) = wa1(j)/r(j,j) temp = wa1(j) jm1 = j - 1 if (jm1 .lt. 1) go to 30 do 20 i = 1, jm1 wa1(i) = wa1(i) - r(i,j)*temp 20 continue 30 continue 40 continue 50 continue do 60 j = 1, n l = ipvt(j) x(l) = wa1(j) 60 continue c c initialize the iteration counter. c evaluate the function at the origin, and test c for acceptance of the gauss-newton direction. c iter = 0 do 70 j = 1, n wa2(j) = diag(j)*x(j) 70 continue dxnorm = enorm(n,wa2) fp = dxnorm - delta if (fp .le. p1*delta) go to 220 c c if the jacobian is not rank deficient, the newton c step provides a lower bound, parl, for the zero of c the function. otherwise set this bound to zero. c parl = zero if (nsing .lt. n) go to 120 do 80 j = 1, n l = ipvt(j) wa1(j) = diag(l)*(wa2(l)/dxnorm) 80 continue do 110 j = 1, n sum = zero jm1 = j - 1 if (jm1 .lt. 1) go to 100 do 90 i = 1, jm1 sum = sum + r(i,j)*wa1(i) 90 continue 100 continue wa1(j) = (wa1(j) - sum)/r(j,j) 110 continue temp = enorm(n,wa1) parl = ((fp/delta)/temp)/temp 120 continue c c calculate an upper bound, paru, for the zero of the function. c do 140 j = 1, n sum = zero do 130 i = 1, j sum = sum + r(i,j)*qtb(i) 130 continue l = ipvt(j) wa1(j) = sum/diag(l) 140 continue gnorm = enorm(n,wa1) paru = gnorm/delta if (paru .eq. zero) paru = dwarf/dmin1(delta,p1) c c if the input par lies outside of the interval (parl,paru), c set par to the closer endpoint. c par = dmax1(par,parl) par = dmin1(par,paru) if (par .eq. zero) par = gnorm/dxnorm c c beginning of an iteration. c 150 continue iter = iter + 1 c c evaluate the function at the current value of par. c if (par .eq. zero) par = dmax1(dwarf,p001*paru) temp = dsqrt(par) do 160 j = 1, n wa1(j) = temp*diag(j) 160 continue call qrsolv(n,r,ldr,ipvt,wa1,qtb,x,sdiag,wa2) do 170 j = 1, n wa2(j) = diag(j)*x(j) 170 continue dxnorm = enorm(n,wa2) temp = fp fp = dxnorm - delta c c if the function is small enough, accept the current value c of par. also test for the exceptional cases where parl c is zero or the number of iterations has reached 10. c if (dabs(fp) .le. p1*delta * .or. parl .eq. zero .and. fp .le. temp * .and. temp .lt. zero .or. iter .eq. 10) go to 220 c c compute the newton correction. c do 180 j = 1, n l = ipvt(j) wa1(j) = diag(l)*(wa2(l)/dxnorm) 180 continue do 210 j = 1, n wa1(j) = wa1(j)/sdiag(j) temp = wa1(j) jp1 = j + 1 if (n .lt. jp1) go to 200 do 190 i = jp1, n wa1(i) = wa1(i) - r(i,j)*temp 190 continue 200 continue 210 continue temp = enorm(n,wa1) parc = ((fp/delta)/temp)/temp c c depending on the sign of the function, update parl or paru. c if (fp .gt. zero) parl = dmax1(parl,par) if (fp .lt. zero) paru = dmin1(paru,par) c c compute an improved estimate for par. c par = dmax1(parl,par+parc) c c end of an iteration. c go to 150 220 continue c c termination. c if (iter .eq. 0) par = zero return c c last card of subroutine lmpar. c end subroutine lmstr(fcn,m,n,x,fvec,fjac,ldfjac,ftol,xtol,gtol, * maxfev,diag,mode,factor,nprint,info,nfev,njev, * ipvt,qtf,wa1,wa2,wa3,wa4) integer m,n,ldfjac,maxfev,mode,nprint,info,nfev,njev integer ipvt(n) logical sing double precision ftol,xtol,gtol,factor double precision x(n),fvec(m),fjac(ldfjac,n),diag(n),qtf(n), * wa1(n),wa2(n),wa3(n),wa4(m) c*********************************************************************72 c cc LMSTR minimizes M functions in N variables using the Levenberg-Marquardt method. c c the purpose of lmstr is to minimize the sum of the squares of c m nonlinear functions in n variables by a modification of c the levenberg-marquardt algorithm which uses minimal storage. c the user must provide a subroutine which calculates the c functions and the rows of the jacobian. c c the subroutine statement is c c subroutine lmstr(fcn,m,n,x,fvec,fjac,ldfjac,ftol,xtol,gtol, c maxfev,diag,mode,factor,nprint,info,nfev, c njev,ipvt,qtf,wa1,wa2,wa3,wa4) c c where c c fcn is the name of the user-supplied subroutine which c calculates the functions and the rows of the jacobian. c fcn must be declared in an external statement in the c user calling program, and should be written as follows. c c subroutine fcn(m,n,x,fvec,fjrow,iflag) c integer m,n,iflag c double precision x(n),fvec(m),fjrow(n) c ---------- c if iflag = 1 calculate the functions at x and c return this vector in fvec. c if iflag = i calculate the (i-1)-st row of the c jacobian at x and return this vector in fjrow. c ---------- c return c end c c the value of iflag should not be changed by fcn unless c the user wants to terminate execution of lmstr. c in this case set iflag to a negative integer. c c m is a positive integer input variable set to the number c of functions. c c n is a positive integer input variable set to the number c of variables. n must not exceed m. c c x is an array of length n. on input x must contain c an initial estimate of the solution vector. on output x c contains the final estimate of the solution vector. c c fvec is an output array of length m which contains c the functions evaluated at the output x. c c fjac is an output n by n array. the upper triangle of fjac c contains an upper triangular matrix r such that c c t t t c p *(jac *jac)*p = r *r, c c where p is a permutation matrix and jac is the final c calculated jacobian. column j of p is column ipvt(j) c (see below) of the identity matrix. the lower triangular c part of fjac contains information generated during c the computation of r. c c ldfjac is a positive integer input variable not less than n c which specifies the leading dimension of the array fjac. c c ftol is a nonnegative input variable. termination c occurs when both the actual and predicted relative c reductions in the sum of squares are at most ftol. c therefore, ftol measures the relative error desired c in the sum of squares. c c xtol is a nonnegative input variable. termination c occurs when the relative error between two consecutive c iterates is at most xtol. therefore, xtol measures the c relative error desired in the approximate solution. c c gtol is a nonnegative input variable. termination c occurs when the cosine of the angle between fvec and c any column of the jacobian is at most gtol in absolute c value. therefore, gtol measures the orthogonality c desired between the function vector and the columns c of the jacobian. c c maxfev is a positive integer input variable. termination c occurs when the number of calls to fcn with iflag = 1 c has reached maxfev. c c diag is an array of length n. if mode = 1 (see c below), diag is internally set. if mode = 2, diag c must contain positive entries that serve as c multiplicative scale factors for the variables. c c mode is an integer input variable. if mode = 1, the c variables will be scaled internally. if mode = 2, c the scaling is specified by the input diag. other c values of mode are equivalent to mode = 1. c c factor is a positive input variable used in determining the c initial step bound. this bound is set to the product of c factor and the euclidean norm of diag*x if nonzero, or else c to factor itself. in most cases factor should lie in the c interval (.1,100.). 100. is a generally recommended value. c c nprint is an integer input variable that enables controlled c printing of iterates if it is positive. in this case, c fcn is called with iflag = 0 at the beginning of the first c iteration and every nprint iterations thereafter and c immediately prior to return, with x and fvec available c for printing. if nprint is not positive, no special calls c of fcn with iflag = 0 are made. c c info is an integer output variable. if the user has c terminated execution, info is set to the (negative) c value of iflag. see description of fcn. otherwise, c info is set as follows. c c info = 0 improper input parameters. c c info = 1 both actual and predicted relative reductions c in the sum of squares are at most ftol. c c info = 2 relative error between two consecutive iterates c is at most xtol. c c info = 3 conditions for info = 1 and info = 2 both hold. c c info = 4 the cosine of the angle between fvec and any c column of the jacobian is at most gtol in c absolute value. c c info = 5 number of calls to fcn with iflag = 1 has c reached maxfev. c c info = 6 ftol is too small. no further reduction in c the sum of squares is possible. c c info = 7 xtol is too small. no further improvement in c the approximate solution x is possible. c c info = 8 gtol is too small. fvec is orthogonal to the c columns of the jacobian to machine precision. c c nfev is an integer output variable set to the number of c calls to fcn with iflag = 1. c c njev is an integer output variable set to the number of c calls to fcn with iflag = 2. c c ipvt is an integer output array of length n. ipvt c defines a permutation matrix p such that jac*p = q*r, c where jac is the final calculated jacobian, q is c orthogonal (not stored), and r is upper triangular. c column j of p is column ipvt(j) of the identity matrix. c c qtf is an output array of length n which contains c the first n elements of the vector (q transpose)*fvec. c c wa1, wa2, and wa3 are work arrays of length n. c c wa4 is a work array of length m. c c subprograms called c c user-supplied ...... fcn c c minpack-supplied ... dpmpar,enorm,lmpar,qrfac,rwupdt c c fortran-supplied ... dabs,dmax1,dmin1,dsqrt,mod c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, dudley v. goetschel, kenneth e. hillstrom, c jorge j. more c c ********** integer i,iflag,iter,j,l double precision actred,delta,dirder,epsmch,fnorm,fnorm1,gnorm, * one,par,pnorm,prered,p1,p5,p25,p75,p0001,ratio, * sum,temp,temp1,temp2,xnorm,zero double precision dpmpar,enorm data one,p1,p5,p25,p75,p0001,zero * /1.0d0,1.0d-1,5.0d-1,2.5d-1,7.5d-1,1.0d-4,0.0d0/ c c epsmch is the machine precision. c epsmch = dpmpar(1) c info = 0 iflag = 0 nfev = 0 njev = 0 c c check the input parameters for errors. c if (n .le. 0 .or. m .lt. n .or. ldfjac .lt. n * .or. ftol .lt. zero .or. xtol .lt. zero .or. gtol .lt. zero * .or. maxfev .le. 0 .or. factor .le. zero) go to 340 if (mode .ne. 2) go to 20 do 10 j = 1, n if (diag(j) .le. zero) go to 340 10 continue 20 continue c c evaluate the function at the starting point c and calculate its norm. c iflag = 1 call fcn(m,n,x,fvec,wa3,iflag) nfev = 1 if (iflag .lt. 0) go to 340 fnorm = enorm(m,fvec) c c initialize levenberg-marquardt parameter and iteration counter. c par = zero iter = 1 c c beginning of the outer loop. c 30 continue c c if requested, call fcn to enable printing of iterates. c if (nprint .le. 0) go to 40 iflag = 0 if (mod(iter-1,nprint) .eq. 0) call fcn(m,n,x,fvec,wa3,iflag) if (iflag .lt. 0) go to 340 40 continue c c compute the qr factorization of the jacobian matrix c calculated one row at a time, while simultaneously c forming (q transpose)*fvec and storing the first c n components in qtf. c do 60 j = 1, n qtf(j) = zero do 50 i = 1, n fjac(i,j) = zero 50 continue 60 continue iflag = 2 do 70 i = 1, m call fcn(m,n,x,fvec,wa3,iflag) if (iflag .lt. 0) go to 340 temp = fvec(i) call rwupdt(n,fjac,ldfjac,wa3,qtf,temp,wa1,wa2) iflag = iflag + 1 70 continue njev = njev + 1 c c if the jacobian is rank deficient, call qrfac to c reorder its columns and update the components of qtf. c sing = .false. do 80 j = 1, n if (fjac(j,j) .eq. zero) sing = .true. ipvt(j) = j wa2(j) = enorm(j,fjac(1,j)) 80 continue if (.not.sing) go to 130 call qrfac(n,n,fjac,ldfjac,.true.,ipvt,n,wa1,wa2,wa3) do 120 j = 1, n if (fjac(j,j) .eq. zero) go to 110 sum = zero do 90 i = j, n sum = sum + fjac(i,j)*qtf(i) 90 continue temp = -sum/fjac(j,j) do 100 i = j, n qtf(i) = qtf(i) + fjac(i,j)*temp 100 continue 110 continue fjac(j,j) = wa1(j) 120 continue 130 continue c c on the first iteration and if mode is 1, scale according c to the norms of the columns of the initial jacobian. c if (iter .ne. 1) go to 170 if (mode .eq. 2) go to 150 do 140 j = 1, n diag(j) = wa2(j) if (wa2(j) .eq. zero) diag(j) = one 140 continue 150 continue c c on the first iteration, calculate the norm of the scaled x c and initialize the step bound delta. c do 160 j = 1, n wa3(j) = diag(j)*x(j) 160 continue xnorm = enorm(n,wa3) delta = factor*xnorm if (delta .eq. zero) delta = factor 170 continue c c compute the norm of the scaled gradient. c gnorm = zero if (fnorm .eq. zero) go to 210 do 200 j = 1, n l = ipvt(j) if (wa2(l) .eq. zero) go to 190 sum = zero do 180 i = 1, j sum = sum + fjac(i,j)*(qtf(i)/fnorm) 180 continue gnorm = dmax1(gnorm,dabs(sum/wa2(l))) 190 continue 200 continue 210 continue c c test for convergence of the gradient norm. c if (gnorm .le. gtol) info = 4 if (info .ne. 0) go to 340 c c rescale if necessary. c if (mode .eq. 2) go to 230 do 220 j = 1, n diag(j) = dmax1(diag(j),wa2(j)) 220 continue 230 continue c c beginning of the inner loop. c 240 continue c c determine the levenberg-marquardt parameter. c call lmpar(n,fjac,ldfjac,ipvt,diag,qtf,delta,par,wa1,wa2, * wa3,wa4) c c store the direction p and x + p. calculate the norm of p. c do 250 j = 1, n wa1(j) = -wa1(j) wa2(j) = x(j) + wa1(j) wa3(j) = diag(j)*wa1(j) 250 continue pnorm = enorm(n,wa3) c c on the first iteration, adjust the initial step bound. c if (iter .eq. 1) delta = dmin1(delta,pnorm) c c evaluate the function at x + p and calculate its norm. c iflag = 1 call fcn(m,n,wa2,wa4,wa3,iflag) nfev = nfev + 1 if (iflag .lt. 0) go to 340 fnorm1 = enorm(m,wa4) c c compute the scaled actual reduction. c actred = -one if (p1*fnorm1 .lt. fnorm) actred = one - (fnorm1/fnorm)**2 c c compute the scaled predicted reduction and c the scaled directional derivative. c do 270 j = 1, n wa3(j) = zero l = ipvt(j) temp = wa1(l) do 260 i = 1, j wa3(i) = wa3(i) + fjac(i,j)*temp 260 continue 270 continue temp1 = enorm(n,wa3)/fnorm temp2 = (dsqrt(par)*pnorm)/fnorm prered = temp1**2 + temp2**2/p5 dirder = -(temp1**2 + temp2**2) c c compute the ratio of the actual to the predicted c reduction. c ratio = zero if (prered .ne. zero) ratio = actred/prered c c update the step bound. c if (ratio .gt. p25) go to 280 if (actred .ge. zero) temp = p5 if (actred .lt. zero) * temp = p5*dirder/(dirder + p5*actred) if (p1*fnorm1 .ge. fnorm .or. temp .lt. p1) temp = p1 delta = temp*dmin1(delta,pnorm/p1) par = par/temp go to 300 280 continue if (par .ne. zero .and. ratio .lt. p75) go to 290 delta = pnorm/p5 par = p5*par 290 continue 300 continue c c test for successful iteration. c if (ratio .lt. p0001) go to 330 c c successful iteration. update x, fvec, and their norms. c do 310 j = 1, n x(j) = wa2(j) wa2(j) = diag(j)*x(j) 310 continue do 320 i = 1, m fvec(i) = wa4(i) 320 continue xnorm = enorm(n,wa2) fnorm = fnorm1 iter = iter + 1 330 continue c c tests for convergence. c if (dabs(actred) .le. ftol .and. prered .le. ftol * .and. p5*ratio .le. one) info = 1 if (delta .le. xtol*xnorm) info = 2 if (dabs(actred) .le. ftol .and. prered .le. ftol * .and. p5*ratio .le. one .and. info .eq. 2) info = 3 if (info .ne. 0) go to 340 c c tests for termination and stringent tolerances. c if (nfev .ge. maxfev) info = 5 if (dabs(actred) .le. epsmch .and. prered .le. epsmch * .and. p5*ratio .le. one) info = 6 if (delta .le. epsmch*xnorm) info = 7 if (gnorm .le. epsmch) info = 8 if (info .ne. 0) go to 340 c c end of the inner loop. repeat if iteration unsuccessful. c if (ratio .lt. p0001) go to 240 c c end of the outer loop. c go to 30 340 continue c c termination, either normal or user imposed. c if (iflag .lt. 0) info = iflag iflag = 0 if (nprint .gt. 0) call fcn(m,n,x,fvec,wa3,iflag) return c c last card of subroutine lmstr. c end subroutine lmstr1(fcn,m,n,x,fvec,fjac,ldfjac,tol,info,ipvt,wa, * lwa) integer m,n,ldfjac,info,lwa integer ipvt(n) double precision tol double precision x(n),fvec(m),fjac(ldfjac,n),wa(lwa) external fcn c*********************************************************************72 c cc LMSTR1 minimizes M functions in N variables using the Levenberg-Marquardt method. c c the purpose of lmstr1 is to minimize the sum of the squares of c m nonlinear functions in n variables by a modification of c the levenberg-marquardt algorithm which uses minimal storage. c this is done by using the more general least-squares solver c lmstr. the user must provide a subroutine which calculates c the functions and the rows of the jacobian. c c the subroutine statement is c c subroutine lmstr1(fcn,m,n,x,fvec,fjac,ldfjac,tol,info, c ipvt,wa,lwa) c c where c c fcn is the name of the user-supplied subroutine which c calculates the functions and the rows of the jacobian. c fcn must be declared in an external statement in the c user calling program, and should be written as follows. c c subroutine fcn(m,n,x,fvec,fjrow,iflag) c integer m,n,iflag c double precision x(n),fvec(m),fjrow(n) c ---------- c if iflag = 1 calculate the functions at x and c return this vector in fvec. c if iflag = i calculate the (i-1)-st row of the c jacobian at x and return this vector in fjrow. c ---------- c return c end c c the value of iflag should not be changed by fcn unless c the user wants to terminate execution of lmstr1. c in this case set iflag to a negative integer. c c m is a positive integer input variable set to the number c of functions. c c n is a positive integer input variable set to the number c of variables. n must not exceed m. c c x is an array of length n. on input x must contain c an initial estimate of the solution vector. on output x c contains the final estimate of the solution vector. c c fvec is an output array of length m which contains c the functions evaluated at the output x. c c fjac is an output n by n array. the upper triangle of fjac c contains an upper triangular matrix r such that c c t t t c p *(jac *jac)*p = r *r, c c where p is a permutation matrix and jac is the final c calculated jacobian. column j of p is column ipvt(j) c (see below) of the identity matrix. the lower triangular c part of fjac contains information generated during c the computation of r. c c ldfjac is a positive integer input variable not less than n c which specifies the leading dimension of the array fjac. c c tol is a nonnegative input variable. termination occurs c when the algorithm estimates either that the relative c error in the sum of squares is at most tol or that c the relative error between x and the solution is at c most tol. c c info is an integer output variable. if the user has c terminated execution, info is set to the (negative) c value of iflag. see description of fcn. otherwise, c info is set as follows. c c info = 0 improper input parameters. c c info = 1 algorithm estimates that the relative error c in the sum of squares is at most tol. c c info = 2 algorithm estimates that the relative error c between x and the solution is at most tol. c c info = 3 conditions for info = 1 and info = 2 both hold. c c info = 4 fvec is orthogonal to the columns of the c jacobian to machine precision. c c info = 5 number of calls to fcn with iflag = 1 has c reached 100*(n+1). c c info = 6 tol is too small. no further reduction in c the sum of squares is possible. c c info = 7 tol is too small. no further improvement in c the approximate solution x is possible. c c ipvt is an integer output array of length n. ipvt c defines a permutation matrix p such that jac*p = q*r, c where jac is the final calculated jacobian, q is c orthogonal (not stored), and r is upper triangular. c column j of p is column ipvt(j) of the identity matrix. c c wa is a work array of length lwa. c c lwa is a positive integer input variable not less than 5*n+m. c c subprograms called c c user-supplied ...... fcn c c minpack-supplied ... lmstr c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, dudley v. goetschel, kenneth e. hillstrom, c jorge j. more c c ********** integer maxfev,mode,nfev,njev,nprint double precision factor,ftol,gtol,xtol,zero data factor,zero /1.0d2,0.0d0/ info = 0 c c check the input parameters for errors. c if (n .le. 0 .or. m .lt. n .or. ldfjac .lt. n .or. tol .lt. zero * .or. lwa .lt. 5*n + m) go to 10 c c call lmstr. c maxfev = 100*(n + 1) ftol = tol xtol = tol gtol = zero mode = 1 nprint = 0 call lmstr(fcn,m,n,x,fvec,fjac,ldfjac,ftol,xtol,gtol,maxfev, * wa(1),mode,factor,nprint,info,nfev,njev,ipvt,wa(n+1), * wa(2*n+1),wa(3*n+1),wa(4*n+1),wa(5*n+1)) if (info .eq. 8) info = 4 10 continue return c c last card of subroutine lmstr1. c end subroutine qform(m,n,q,ldq,wa) integer m,n,ldq double precision q(ldq,m),wa(m) c ********** c cc QFORM produces the explicit QR factorization of a matrix. c c this subroutine proceeds from the computed qr factorization of c an m by n matrix a to accumulate the m by m orthogonal matrix c q from its factored form. c c the subroutine statement is c c subroutine qform(m,n,q,ldq,wa) c c where c c m is a positive integer input variable set to the number c of rows of a and the order of q. c c n is a positive integer input variable set to the number c of columns of a. c c q is an m by m array. on input the full lower trapezoid in c the first min(m,n) columns of q contains the factored form. c on output q has been accumulated into a square matrix. c c ldq is a positive integer input variable not less than m c which specifies the leading dimension of the array q. c c wa is a work array of length m. c c subprograms called c c fortran-supplied ... min0 c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer i,j,jm1,k,l,minmn,np1 double precision one,sum,temp,zero data one,zero /1.0d0,0.0d0/ c c zero out upper triangle of q in the first min(m,n) columns. c minmn = min0(m,n) if (minmn .lt. 2) go to 30 do 20 j = 2, minmn jm1 = j - 1 do 10 i = 1, jm1 q(i,j) = zero 10 continue 20 continue 30 continue c c initialize remaining columns to those of the identity matrix. c np1 = n + 1 if (m .lt. np1) go to 60 do 50 j = np1, m do 40 i = 1, m q(i,j) = zero 40 continue q(j,j) = one 50 continue 60 continue c c accumulate q from its factored form. c do 120 l = 1, minmn k = minmn - l + 1 do 70 i = k, m wa(i) = q(i,k) q(i,k) = zero 70 continue q(k,k) = one if (wa(k) .eq. zero) go to 110 do 100 j = k, m sum = zero do 80 i = k, m sum = sum + q(i,j)*wa(i) 80 continue temp = sum/wa(k) do 90 i = k, m q(i,j) = q(i,j) - temp*wa(i) 90 continue 100 continue 110 continue 120 continue return c c last card of subroutine qform. c end subroutine qrfac(m,n,a,lda,pivot,ipvt,lipvt,rdiag,acnorm,wa) integer m,n,lda,lipvt integer ipvt(lipvt) logical pivot double precision a(lda,n),rdiag(n),acnorm(n),wa(n) c*********************************************************************72 c cc QRFAC computes a QR factorization using Householder transformations. c c this subroutine uses householder transformations with column c pivoting (optional) to compute a qr factorization of the c m by n matrix a. that is, qrfac determines an orthogonal c matrix q, a permutation matrix p, and an upper trapezoidal c matrix r with diagonal elements of nonincreasing magnitude, c such that a*p = q*r. the householder transformation for c column k, k = 1,2,...,min(m,n), is of the form c c t c i - (1/u(k))*u*u c c where u has zeros in the first k-1 positions. the form of c this transformation and the method of pivoting first c appeared in the corresponding linpack subroutine. c c the subroutine statement is c c subroutine qrfac(m,n,a,lda,pivot,ipvt,lipvt,rdiag,acnorm,wa) c c where c c m is a positive integer input variable set to the number c of rows of a. c c n is a positive integer input variable set to the number c of columns of a. c c a is an m by n array. on input a contains the matrix for c which the qr factorization is to be computed. on output c the strict upper trapezoidal part of a contains the strict c upper trapezoidal part of r, and the lower trapezoidal c part of a contains a factored form of q (the non-trivial c elements of the u vectors described above). c c lda is a positive integer input variable not less than m c which specifies the leading dimension of the array a. c c pivot is a logical input variable. if pivot is set true, c then column pivoting is enforced. if pivot is set false, c then no column pivoting is done. c c ipvt is an integer output array of length lipvt. ipvt c defines the permutation matrix p such that a*p = q*r. c column j of p is column ipvt(j) of the identity matrix. c if pivot is false, ipvt is not referenced. c c lipvt is a positive integer input variable. if pivot is false, c then lipvt may be as small as 1. if pivot is true, then c lipvt must be at least n. c c rdiag is an output array of length n which contains the c diagonal elements of r. c c acnorm is an output array of length n which contains the c norms of the corresponding columns of the input matrix a. c if this information is not needed, then acnorm can coincide c with rdiag. c c wa is a work array of length n. if pivot is false, then wa c can coincide with rdiag. c c subprograms called c c minpack-supplied ... dpmpar,enorm c c fortran-supplied ... dmax1,dsqrt,min0 c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer i,j,jp1,k,kmax,minmn double precision ajnorm,epsmch,one,p05,sum,temp,zero double precision dpmpar,enorm data one,p05,zero /1.0d0,5.0d-2,0.0d0/ c c epsmch is the machine precision. c epsmch = dpmpar(1) c c compute the initial column norms and initialize several arrays. c do 10 j = 1, n acnorm(j) = enorm(m,a(1,j)) rdiag(j) = acnorm(j) wa(j) = rdiag(j) if (pivot) ipvt(j) = j 10 continue c c reduce a to r with householder transformations. c minmn = min0(m,n) do 110 j = 1, minmn if (.not.pivot) go to 40 c c bring the column of largest norm into the pivot position. c kmax = j do 20 k = j, n if (rdiag(k) .gt. rdiag(kmax)) kmax = k 20 continue if (kmax .eq. j) go to 40 do 30 i = 1, m temp = a(i,j) a(i,j) = a(i,kmax) a(i,kmax) = temp 30 continue rdiag(kmax) = rdiag(j) wa(kmax) = wa(j) k = ipvt(j) ipvt(j) = ipvt(kmax) ipvt(kmax) = k 40 continue c c compute the householder transformation to reduce the c j-th column of a to a multiple of the j-th unit vector. c ajnorm = enorm(m-j+1,a(j,j)) if (ajnorm .eq. zero) go to 100 if (a(j,j) .lt. zero) ajnorm = -ajnorm do 50 i = j, m a(i,j) = a(i,j)/ajnorm 50 continue a(j,j) = a(j,j) + one c c apply the transformation to the remaining columns c and update the norms. c jp1 = j + 1 if (n .lt. jp1) go to 100 do 90 k = jp1, n sum = zero do 60 i = j, m sum = sum + a(i,j)*a(i,k) 60 continue temp = sum/a(j,j) do 70 i = j, m a(i,k) = a(i,k) - temp*a(i,j) 70 continue if (.not.pivot .or. rdiag(k) .eq. zero) go to 80 temp = a(j,k)/rdiag(k) rdiag(k) = rdiag(k)*dsqrt(dmax1(zero,one-temp**2)) if (p05*(rdiag(k)/wa(k))**2 .gt. epsmch) go to 80 rdiag(k) = enorm(m-j,a(jp1,k)) wa(k) = rdiag(k) 80 continue 90 continue 100 continue rdiag(j) = -ajnorm 110 continue return c c last card of subroutine qrfac. c end subroutine qrsolv(n,r,ldr,ipvt,diag,qtb,x,sdiag,wa) integer n,ldr integer ipvt(n) double precision r(ldr,n),diag(n),qtb(n),x(n),sdiag(n),wa(n) c*********************************************************************72 c cc QRSOLV solves a rectangular linear system A*x=b in the least squares sense. c c given an m by n matrix a, an n by n diagonal matrix d, c and an m-vector b, the problem is to determine an x which c solves the system c c a*x = b , d*x = 0 , c c in the least squares sense. c c this subroutine completes the solution of the problem c if it is provided with the necessary information from the c qr factorization, with column pivoting, of a. that is, if c a*p = q*r, where p is a permutation matrix, q has orthogonal c columns, and r is an upper triangular matrix with diagonal c elements of nonincreasing magnitude, then qrsolv expects c the full upper triangle of r, the permutation matrix p, c and the first n components of (q transpose)*b. the system c a*x = b, d*x = 0, is then equivalent to c c t t c r*z = q *b , p *d*p*z = 0 , c c where x = p*z. if this system does not have full rank, c then a least squares solution is obtained. on output qrsolv c also provides an upper triangular matrix s such that c c t t t c p *(a *a + d*d)*p = s *s . c c s is computed within qrsolv and may be of separate interest. c c the subroutine statement is c c subroutine qrsolv(n,r,ldr,ipvt,diag,qtb,x,sdiag,wa) c c where c c n is a positive integer input variable set to the order of r. c c r is an n by n array. on input the full upper triangle c must contain the full upper triangle of the matrix r. c on output the full upper triangle is unaltered, and the c strict lower triangle contains the strict upper triangle c (transposed) of the upper triangular matrix s. c c ldr is a positive integer input variable not less than n c which specifies the leading dimension of the array r. c c ipvt is an integer input array of length n which defines the c permutation matrix p such that a*p = q*r. column j of p c is column ipvt(j) of the identity matrix. c c diag is an input array of length n which must contain the c diagonal elements of the matrix d. c c qtb is an input array of length n which must contain the first c n elements of the vector (q transpose)*b. c c x is an output array of length n which contains the least c squares solution of the system a*x = b, d*x = 0. c c sdiag is an output array of length n which contains the c diagonal elements of the upper triangular matrix s. c c wa is a work array of length n. c c subprograms called c c fortran-supplied ... dabs,dsqrt c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer i,j,jp1,k,kp1,l,nsing double precision cos,cotan,p5,p25,qtbpj,sin,sum,tan,temp,zero data p5,p25,zero /5.0d-1,2.5d-1,0.0d0/ c c copy r and (q transpose)*b to preserve input and initialize s. c in particular, save the diagonal elements of r in x. c do 20 j = 1, n do 10 i = j, n r(i,j) = r(j,i) 10 continue x(j) = r(j,j) wa(j) = qtb(j) 20 continue c c eliminate the diagonal matrix d using a givens rotation. c do 100 j = 1, n c c prepare the row of d to be eliminated, locating the c diagonal element using p from the qr factorization. c l = ipvt(j) if (diag(l) .eq. zero) go to 90 do 30 k = j, n sdiag(k) = zero 30 continue sdiag(j) = diag(l) c c the transformations to eliminate the row of d c modify only a single element of (q transpose)*b c beyond the first n, which is initially zero. c qtbpj = zero do 80 k = j, n c c determine a givens rotation which eliminates the c appropriate element in the current row of d. c if (sdiag(k) .eq. zero) go to 70 if (dabs(r(k,k)) .ge. dabs(sdiag(k))) go to 40 cotan = r(k,k)/sdiag(k) sin = p5/dsqrt(p25+p25*cotan**2) cos = sin*cotan go to 50 40 continue tan = sdiag(k)/r(k,k) cos = p5/dsqrt(p25+p25*tan**2) sin = cos*tan 50 continue c c compute the modified diagonal element of r and c the modified element of ((q transpose)*b,0). c r(k,k) = cos*r(k,k) + sin*sdiag(k) temp = cos*wa(k) + sin*qtbpj qtbpj = -sin*wa(k) + cos*qtbpj wa(k) = temp c c accumulate the tranformation in the row of s. c kp1 = k + 1 if (n .lt. kp1) go to 70 do 60 i = kp1, n temp = cos*r(i,k) + sin*sdiag(i) sdiag(i) = -sin*r(i,k) + cos*sdiag(i) r(i,k) = temp 60 continue 70 continue 80 continue 90 continue c c store the diagonal element of s and restore c the corresponding diagonal element of r. c sdiag(j) = r(j,j) r(j,j) = x(j) 100 continue c c solve the triangular system for z. if the system is c singular, then obtain a least squares solution. c nsing = n do 110 j = 1, n if (sdiag(j) .eq. zero .and. nsing .eq. n) nsing = j - 1 if (nsing .lt. n) wa(j) = zero 110 continue if (nsing .lt. 1) go to 150 do 140 k = 1, nsing j = nsing - k + 1 sum = zero jp1 = j + 1 if (nsing .lt. jp1) go to 130 do 120 i = jp1, nsing sum = sum + r(i,j)*wa(i) 120 continue 130 continue wa(j) = (wa(j) - sum)/sdiag(j) 140 continue 150 continue c c permute the components of z back to components of x. c do 160 j = 1, n l = ipvt(j) x(l) = wa(j) 160 continue return c c last card of subroutine qrsolv. c end subroutine r1mpyq(m,n,a,lda,v,w) integer m,n,lda double precision a(lda,n),v(n),w(n) c*********************************************************************72 c cc R1MPYQ computes A*Q, where Q is the product of Householder transformations. c c given an m by n matrix a, this subroutine computes a*q where c q is the product of 2*(n - 1) transformations c c gv(n-1)*...*gv(1)*gw(1)*...*gw(n-1) c c and gv(i), gw(i) are givens rotations in the (i,n) plane which c eliminate elements in the i-th and n-th planes, respectively. c q itself is not given, rather the information to recover the c gv, gw rotations is supplied. c c the subroutine statement is c c subroutine r1mpyq(m,n,a,lda,v,w) c c where c c m is a positive integer input variable set to the number c of rows of a. c c n is a positive integer input variable set to the number c of columns of a. c c a is an m by n array. on input a must contain the matrix c to be postmultiplied by the orthogonal matrix q c described above. on output a*q has replaced a. c c lda is a positive integer input variable not less than m c which specifies the leading dimension of the array a. c c v is an input array of length n. v(i) must contain the c information necessary to recover the givens rotation gv(i) c described above. c c w is an input array of length n. w(i) must contain the c information necessary to recover the givens rotation gw(i) c described above. c c subroutines called c c fortran-supplied ... dabs,dsqrt c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more c c ********** integer i,j,nmj,nm1 double precision cos,one,sin,temp data one /1.0d0/ c c apply the first set of givens rotations to a. c nm1 = n - 1 if (nm1 .lt. 1) go to 50 do 20 nmj = 1, nm1 j = n - nmj if (dabs(v(j)) .gt. one) cos = one/v(j) if (dabs(v(j)) .gt. one) sin = dsqrt(one-cos**2) if (dabs(v(j)) .le. one) sin = v(j) if (dabs(v(j)) .le. one) cos = dsqrt(one-sin**2) do 10 i = 1, m temp = cos*a(i,j) - sin*a(i,n) a(i,n) = sin*a(i,j) + cos*a(i,n) a(i,j) = temp 10 continue 20 continue c c apply the second set of givens rotations to a. c do 40 j = 1, nm1 if (dabs(w(j)) .gt. one) cos = one/w(j) if (dabs(w(j)) .gt. one) sin = dsqrt(one-cos**2) if (dabs(w(j)) .le. one) sin = w(j) if (dabs(w(j)) .le. one) cos = dsqrt(one-sin**2) do 30 i = 1, m temp = cos*a(i,j) + sin*a(i,n) a(i,n) = -sin*a(i,j) + cos*a(i,n) a(i,j) = temp 30 continue 40 continue 50 continue return c c last card of subroutine r1mpyq. c end subroutine r1updt(m,n,s,ls,u,v,w,sing) integer m,n,ls logical sing double precision s(ls),u(m),v(n),w(m) c*********************************************************************72 c cc R1UPDT re-triangularizes a matrix after a rank one update. c c given an m by n lower trapezoidal matrix s, an m-vector u, c and an n-vector v, the problem is to determine an c orthogonal matrix q such that c c t c (s + u*v )*q c c is again lower trapezoidal. c c this subroutine determines q as the product of 2*(n - 1) c transformations c c gv(n-1)*...*gv(1)*gw(1)*...*gw(n-1) c c where gv(i), gw(i) are givens rotations in the (i,n) plane c which eliminate elements in the i-th and n-th planes, c respectively. q itself is not accumulated, rather the c information to recover the gv, gw rotations is returned. c c the subroutine statement is c c subroutine r1updt(m,n,s,ls,u,v,w,sing) c c where c c m is a positive integer input variable set to the number c of rows of s. c c n is a positive integer input variable set to the number c of columns of s. n must not exceed m. c c s is an array of length ls. on input s must contain the lower c trapezoidal matrix s stored by columns. on output s contains c the lower trapezoidal matrix produced as described above. c c ls is a positive integer input variable not less than c (n*(2*m-n+1))/2. c c u is an input array of length m which must contain the c vector u. c c v is an array of length n. on input v must contain the vector c v. on output v(i) contains the information necessary to c recover the givens rotation gv(i) described above. c c w is an output array of length m. w(i) contains information c necessary to recover the givens rotation gw(i) described c above. c c sing is a logical output variable. sing is set true if any c of the diagonal elements of the output s are zero. otherwise c sing is set false. c c subprograms called c c minpack-supplied ... dpmpar c c fortran-supplied ... dabs,dsqrt c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, kenneth e. hillstrom, jorge j. more, c john l. nazareth c c ********** integer i,j,jj,l,nmj,nm1 double precision cos,cotan,giant,one,p5,p25,sin,tan,tau,temp, * zero double precision dpmpar data one,p5,p25,zero /1.0d0,5.0d-1,2.5d-1,0.0d0/ c c giant is the largest magnitude. c giant = dpmpar(3) c c initialize the diagonal element pointer. c jj = (n*(2*m - n + 1))/2 - (m - n) c c move the nontrivial part of the last column of s into w. c l = jj do 10 i = n, m w(i) = s(l) l = l + 1 10 continue c c rotate the vector v into a multiple of the n-th unit vector c in such a way that a spike is introduced into w. c nm1 = n - 1 if (nm1 .lt. 1) go to 70 do 60 nmj = 1, nm1 j = n - nmj jj = jj - (m - j + 1) w(j) = zero if (v(j) .eq. zero) go to 50 c c determine a givens rotation which eliminates the c j-th element of v. c if (dabs(v(n)) .ge. dabs(v(j))) go to 20 cotan = v(n)/v(j) sin = p5/dsqrt(p25+p25*cotan**2) cos = sin*cotan tau = one if (dabs(cos)*giant .gt. one) tau = one/cos go to 30 20 continue tan = v(j)/v(n) cos = p5/dsqrt(p25+p25*tan**2) sin = cos*tan tau = sin 30 continue c c apply the transformation to v and store the information c necessary to recover the givens rotation. c v(n) = sin*v(j) + cos*v(n) v(j) = tau c c apply the transformation to s and extend the spike in w. c l = jj do 40 i = j, m temp = cos*s(l) - sin*w(i) w(i) = sin*s(l) + cos*w(i) s(l) = temp l = l + 1 40 continue 50 continue 60 continue 70 continue c c add the spike from the rank 1 update to w. c do 80 i = 1, m w(i) = w(i) + v(n)*u(i) 80 continue c c eliminate the spike. c sing = .false. if (nm1 .lt. 1) go to 140 do 130 j = 1, nm1 if (w(j) .eq. zero) go to 120 c c determine a givens rotation which eliminates the c j-th element of the spike. c if (dabs(s(jj)) .ge. dabs(w(j))) go to 90 cotan = s(jj)/w(j) sin = p5/dsqrt(p25+p25*cotan**2) cos = sin*cotan tau = one if (dabs(cos)*giant .gt. one) tau = one/cos go to 100 90 continue tan = w(j)/s(jj) cos = p5/dsqrt(p25+p25*tan**2) sin = cos*tan tau = sin 100 continue c c apply the transformation to s and reduce the spike in w. c l = jj do 110 i = j, m temp = cos*s(l) + sin*w(i) w(i) = -sin*s(l) + cos*w(i) s(l) = temp l = l + 1 110 continue c c store the information necessary to recover the c givens rotation. c w(j) = tau 120 continue c c test for zero diagonal elements in the output s. c if (s(jj) .eq. zero) sing = .true. jj = jj + (m - j + 1) 130 continue 140 continue c c move w back into the last column of the output s. c l = jj do 150 i = n, m s(l) = w(i) l = l + 1 150 continue if (s(jj) .eq. zero) sing = .true. return c c last card of subroutine r1updt. c end subroutine r8mat_print ( m, n, a, title ) c*********************************************************************72 c cc R8MAT_PRINT prints an R8MAT. c c Discussion: c c An R8MAT is an array of R8's. c c Licensing: c c This code is distributed under the MIT license. c c Modified: c c 20 May 2004 c c Author: c c John Burkardt c c Parameters: c c Input, integer M, the number of rows in A. c c Input, integer N, the number of columns in A. c c Input, double precision A(M,N), the matrix. c c Input, character ( len = * ) TITLE, a title to be printed. c implicit none integer m integer n double precision a(m,n) character ( len = * ) title call r8mat_print_some ( m, n, a, 1, 1, m, n, title ) return end subroutine r8mat_print_some ( m, n, a, ilo, jlo, ihi, jhi, & title ) c*********************************************************************72 c cc R8MAT_PRINT_SOME prints some of an R8MAT. c c Discussion: c c An R8MAT is an array of R8's. c c Licensing: c c This code is distributed under the MIT license. c c Modified: c c 25 January 2007 c c Author: c c John Burkardt c c Parameters: c c Input, integer M, N, the number of rows and columns. c c Input, double precision A(M,N), an M by N matrix to be printed. c c Input, integer ILO, JLO, the first row and column to print. c c Input, integer IHI, JHI, the last row and column to print. c c Input, character ( len = * ) TITLE, an optional title. c implicit none integer incx parameter ( incx = 5 ) integer m integer n double precision a(m,n) character * ( 14 ) ctemp(incx) integer i integer i2hi integer i2lo integer ihi integer ilo integer inc integer j integer j2 integer j2hi integer j2lo integer jhi integer jlo character * ( * ) title write ( *, '(a)' ) ' ' write ( *, '(a)' ) trim ( title ) do j2lo = max ( jlo, 1 ), min ( jhi, n ), incx j2hi = j2lo + incx - 1 j2hi = min ( j2hi, n ) j2hi = min ( j2hi, jhi ) inc = j2hi + 1 - j2lo write ( *, '(a)' ) ' ' do j = j2lo, j2hi j2 = j + 1 - j2lo write ( ctemp(j2), '(i7,7x)') j end do write ( *, '('' Col '',5a14)' ) ( ctemp(j), j = 1, inc ) write ( *, '(a)' ) ' Row' write ( *, '(a)' ) ' ' i2lo = max ( ilo, 1 ) i2hi = min ( ihi, m ) do i = i2lo, i2hi do j2 = 1, inc j = j2lo - 1 + j2 write ( ctemp(j2), '(g14.6)' ) a(i,j) end do write ( *, '(i5,1x,5a14)' ) i, ( ctemp(j), j = 1, inc ) end do end do return end subroutine r8vec_print ( n, a, title ) c*********************************************************************72 c cc R8VEC_PRINT prints an R8VEC. c c Discussion: c c An R8VEC is a vector of R8's. c c Licensing: c c This code is distributed under the MIT license. c c Modified: c c 12 January 2007 c c Author: c c John Burkardt c c Parameters: c c Input, integer N, the number of components of the vector. c c Input, double precision A(N), the vector to be printed. c c Input, character * ( * ) TITLE, a title. c implicit none integer n double precision a(n) integer i character ( len = * ) title write ( *, '(a)' ) ' ' write ( *, '(a)' ) trim ( title ) write ( *, '(a)' ) ' ' do i = 1, n write ( *, '(2x,i8,2x,g16.8)' ) i, a(i) end do return end subroutine rwupdt(n,r,ldr,w,b,alpha,cos,sin) integer n,ldr double precision alpha double precision r(ldr,n),w(n),b(n),cos(n),sin(n) c*********************************************************************72 c cc RWUPDT computes the decomposition of a triangular matrix augmented by one row. c c given an n by n upper triangular matrix r, this subroutine c computes the qr decomposition of the matrix formed when a row c is added to r. if the row is specified by the vector w, then c rwupdt determines an orthogonal matrix q such that when the c n+1 by n matrix composed of r augmented by w is premultiplied c by (q transpose), the resulting matrix is upper trapezoidal. c the matrix (q transpose) is the product of n transformations c c g(n)*g(n-1)* ... *g(1) c c where g(i) is a givens rotation in the (i,n+1) plane which c eliminates elements in the (n+1)-st plane. rwupdt also c computes the product (q transpose)*c where c is the c (n+1)-vector (b,alpha). q itself is not accumulated, rather c the information to recover the g rotations is supplied. c c the subroutine statement is c c subroutine rwupdt(n,r,ldr,w,b,alpha,cos,sin) c c where c c n is a positive integer input variable set to the order of r. c c r is an n by n array. on input the upper triangular part of c r must contain the matrix to be updated. on output r c contains the updated triangular matrix. c c ldr is a positive integer input variable not less than n c which specifies the leading dimension of the array r. c c w is an input array of length n which must contain the row c vector to be added to r. c c b is an array of length n. on input b must contain the c first n elements of the vector c. on output b contains c the first n elements of the vector (q transpose)*c. c c alpha is a variable. on input alpha must contain the c (n+1)-st element of the vector c. on output alpha contains c the (n+1)-st element of the vector (q transpose)*c. c c cos is an output array of length n which contains the c cosines of the transforming givens rotations. c c sin is an output array of length n which contains the c sines of the transforming givens rotations. c c subprograms called c c fortran-supplied ... dabs,dsqrt c c argonne national laboratory. minpack project. march 1980. c burton s. garbow, dudley v. goetschel, kenneth e. hillstrom, c jorge j. more c c ********** integer i,j,jm1 double precision cotan,one,p5,p25,rowj,tan,temp,zero data one,p5,p25,zero /1.0d0,5.0d-1,2.5d-1,0.0d0/ c do 60 j = 1, n rowj = w(j) jm1 = j - 1 c c apply the previous transformations to c r(i,j), i=1,2,...,j-1, and to w(j). c if (jm1 .lt. 1) go to 20 do 10 i = 1, jm1 temp = cos(i)*r(i,j) + sin(i)*rowj rowj = -sin(i)*r(i,j) + cos(i)*rowj r(i,j) = temp 10 continue 20 continue c c determine a givens rotation which eliminates w(j). c cos(j) = one sin(j) = zero if (rowj .eq. zero) go to 50 if (dabs(r(j,j)) .ge. dabs(rowj)) go to 30 cotan = r(j,j)/rowj sin(j) = p5/dsqrt(p25+p25*cotan**2) cos(j) = sin(j)*cotan go to 40 30 continue tan = rowj/r(j,j) cos(j) = p5/dsqrt(p25+p25*tan**2) sin(j) = cos(j)*tan 40 continue c c apply the current transformation to r(j,j), b(j), and alpha. c r(j,j) = cos(j)*r(j,j) + sin(j)*rowj temp = cos(j)*b(j) + sin(j)*alpha alpha = -sin(j)*b(j) + cos(j)*alpha b(j) = temp 50 continue 60 continue return c c last card of subroutine rwupdt. c end subroutine timestamp ( ) c*********************************************************************72 c cc TIMESTAMP prints out the current YMDHMS date as a timestamp. c c Licensing: c c This code is distributed under the MIT license. c c Modified: c c 12 January 2007 c c Author: c c John Burkardt c c Parameters: c c None c implicit none character * ( 8 ) ampm integer d character * ( 8 ) date integer h integer m integer mm character * ( 9 ) month(12) integer n integer s character * ( 10 ) time integer y save month data month / & 'January ', 'February ', 'March ', 'April ', & 'May ', 'June ', 'July ', 'August ', & 'September', 'October ', 'November ', 'December ' / call date_and_time ( date, time ) read ( date, '(i4,i2,i2)' ) y, m, d read ( time, '(i2,i2,i2,1x,i3)' ) h, n, s, mm if ( h .lt. 12 ) then ampm = 'AM' else if ( h .eq. 12 ) then if ( n .eq. 0 .and. s .eq. 0 ) then ampm = 'Noon' else ampm = 'PM' end if else h = h - 12 if ( h .lt. 12 ) then ampm = 'PM' else if ( h .eq. 12 ) then if ( n .eq. 0 .and. s .eq. 0 ) then ampm = 'Midnight' else ampm = 'AM' end if end if end if write ( *, & '(i2,1x,a,1x,i4,2x,i2,a1,i2.2,a1,i2.2,a1,i3.3,1x,a)' ) & d, month(m), y, h, ':', n, ':', s, '.', mm, ampm return end