21 January 2020 08:58:09 AM SPHERE_LEBEDEV_RULE_TEST C version Test the SPHERE_LEBEDEV_RULE library. TEST01 List Lebedev rule properties. Rule Avail Order Prec 1 1 6 3 2 1 14 5 3 1 26 7 4 1 38 9 5 1 50 11 6 1 74 13 7 1 86 15 8 1 110 17 9 1 146 19 10 1 170 21 11 1 194 23 12 1 230 25 13 1 266 27 14 1 302 29 15 1 350 31 16 0 386 33 17 1 434 35 18 0 482 37 19 0 530 39 20 1 590 41 21 0 650 43 22 0 698 45 23 1 770 47 24 0 830 49 25 0 890 51 26 1 974 53 27 0 1046 55 28 0 1118 57 29 1 1202 59 30 0 1274 61 31 0 1358 63 32 1 1454 65 33 0 1538 67 34 0 1622 69 35 1 1730 71 36 0 1814 73 37 0 1910 75 38 1 2030 77 39 0 2126 79 40 0 2222 81 41 1 2354 83 42 0 2450 85 43 0 2558 87 44 1 2702 89 45 0 2810 91 46 0 2930 93 47 1 3074 95 48 0 3182 97 49 0 3314 99 50 1 3470 101 51 0 3590 103 52 0 3722 105 53 1 3890 107 54 0 4010 109 55 0 4154 111 56 1 4334 113 57 0 4466 115 58 0 4610 117 59 1 4802 119 60 0 4934 121 61 0 5090 123 62 1 5294 125 63 0 5438 127 64 0 5606 129 65 1 5810 131 TEST02 Generate each available rule and test for accuracy. Order = 6 LMAXW = 3 max error = 3.3e-16 0.000000000000000 90.000000000000000 0.166666666666667 180.000000000000000 90.000000000000000 0.166666666666667 90.000000000000000 90.000000000000000 0.166666666666667 -90.000000000000000 90.000000000000000 0.166666666666667 90.000000000000000 0.000000000000000 0.166666666666667 90.000000000000000 180.000000000000000 0.166666666666667 Order = 14 LMAXW = 5 max error = 4.2e-16 0.000000000000000 90.000000000000000 0.066666666666667 180.000000000000000 90.000000000000000 0.066666666666667 90.000000000000000 90.000000000000000 0.066666666666667 -90.000000000000000 90.000000000000000 0.066666666666667 90.000000000000000 0.000000000000000 0.066666666666667 90.000000000000000 180.000000000000000 0.066666666666667 45.000000000000000 54.735610317245346 0.075000000000000 45.000000000000000 125.264389682754654 0.075000000000000 -45.000000000000000 54.735610317245346 0.075000000000000 -45.000000000000000 125.264389682754654 0.075000000000000 135.000000000000000 54.735610317245346 0.075000000000000 135.000000000000000 125.264389682754654 0.075000000000000 -135.000000000000000 54.735610317245346 0.075000000000000 -135.000000000000000 125.264389682754654 0.075000000000000 Order = 26 LMAXW = 7 max error = 7.3e-16 0.000000000000000 90.000000000000000 0.047619047619048 180.000000000000000 90.000000000000000 0.047619047619048 90.000000000000000 90.000000000000000 0.047619047619048 -90.000000000000000 90.000000000000000 0.047619047619048 90.000000000000000 0.000000000000000 0.047619047619048 90.000000000000000 180.000000000000000 0.047619047619048 90.000000000000000 45.000000000000007 0.038095238095238 90.000000000000000 135.000000000000000 0.038095238095238 -90.000000000000000 45.000000000000007 0.038095238095238 -90.000000000000000 135.000000000000000 0.038095238095238 0.000000000000000 45.000000000000007 0.038095238095238 0.000000000000000 135.000000000000000 0.038095238095238 180.000000000000000 45.000000000000007 0.038095238095238 180.000000000000000 135.000000000000000 0.038095238095238 45.000000000000000 90.000000000000000 0.038095238095238 -45.000000000000000 90.000000000000000 0.038095238095238 135.000000000000000 90.000000000000000 0.038095238095238 -135.000000000000000 90.000000000000000 0.038095238095238 45.000000000000000 54.735610317245346 0.032142857142857 45.000000000000000 125.264389682754654 0.032142857142857 -45.000000000000000 54.735610317245346 0.032142857142857 -45.000000000000000 125.264389682754654 0.032142857142857 135.000000000000000 54.735610317245346 0.032142857142857 135.000000000000000 125.264389682754654 0.032142857142857 -135.000000000000000 54.735610317245346 0.032142857142857 -135.000000000000000 125.264389682754654 0.032142857142857 Order = 38 LMAXW = 9 max error = 9.6e-16 0.000000000000000 90.000000000000000 0.009523809523810 180.000000000000000 90.000000000000000 0.009523809523810 90.000000000000000 90.000000000000000 0.009523809523810 -90.000000000000000 90.000000000000000 0.009523809523810 90.000000000000000 0.000000000000000 0.009523809523810 90.000000000000000 180.000000000000000 0.009523809523810 45.000000000000000 54.735610317245346 0.032142857142857 45.000000000000000 125.264389682754654 0.032142857142857 -45.000000000000000 54.735610317245346 0.032142857142857 -45.000000000000000 125.264389682754654 0.032142857142857 135.000000000000000 54.735610317245346 0.032142857142857 135.000000000000000 125.264389682754654 0.032142857142857 -135.000000000000000 54.735610317245346 0.032142857142857 -135.000000000000000 125.264389682754654 0.032142857142857 62.632194841377327 90.000000000000000 0.028571428571429 -62.632194841377327 90.000000000000000 0.028571428571429 117.367805158622687 90.000000000000000 0.028571428571429 -117.367805158622687 90.000000000000000 0.028571428571429 27.367805158622673 90.000000000000000 0.028571428571429 -27.367805158622673 90.000000000000000 0.028571428571429 152.632194841377327 90.000000000000000 0.028571428571429 -152.632194841377327 90.000000000000000 0.028571428571429 0.000000000000000 27.367805158622673 0.028571428571429 0.000000000000000 152.632194841377327 0.028571428571429 180.000000000000000 27.367805158622673 0.028571428571429 180.000000000000000 152.632194841377327 0.028571428571429 0.000000000000000 62.632194841377327 0.028571428571429 0.000000000000000 117.367805158622687 0.028571428571429 180.000000000000000 62.632194841377327 0.028571428571429 180.000000000000000 117.367805158622687 0.028571428571429 90.000000000000000 27.367805158622673 0.028571428571429 90.000000000000000 152.632194841377327 0.028571428571429 -90.000000000000000 27.367805158622673 0.028571428571429 -90.000000000000000 152.632194841377327 0.028571428571429 90.000000000000000 62.632194841377327 0.028571428571429 90.000000000000000 117.367805158622687 0.028571428571429 -90.000000000000000 62.632194841377327 0.028571428571429 -90.000000000000000 117.367805158622687 0.028571428571429 Order = 50 LMAXW = 11 max error = 1.6e-15 0.000000000000000 90.000000000000000 0.012698412698413 180.000000000000000 90.000000000000000 0.012698412698413 90.000000000000000 90.000000000000000 0.012698412698413 -90.000000000000000 90.000000000000000 0.012698412698413 90.000000000000000 0.000000000000000 0.012698412698413 90.000000000000000 180.000000000000000 0.012698412698413 90.000000000000000 45.000000000000007 0.022574955908289 90.000000000000000 135.000000000000000 0.022574955908289 -90.000000000000000 45.000000000000007 0.022574955908289 -90.000000000000000 135.000000000000000 0.022574955908289 0.000000000000000 45.000000000000007 0.022574955908289 0.000000000000000 135.000000000000000 0.022574955908289 180.000000000000000 45.000000000000007 0.022574955908289 180.000000000000000 135.000000000000000 0.022574955908289 45.000000000000000 90.000000000000000 0.022574955908289 -45.000000000000000 90.000000000000000 0.022574955908289 135.000000000000000 90.000000000000000 0.022574955908289 -135.000000000000000 90.000000000000000 0.022574955908289 45.000000000000000 54.735610317245346 0.021093750000000 45.000000000000000 125.264389682754654 0.021093750000000 -45.000000000000000 54.735610317245346 0.021093750000000 -45.000000000000000 125.264389682754654 0.021093750000000 135.000000000000000 54.735610317245346 0.021093750000000 135.000000000000000 125.264389682754654 0.021093750000000 -135.000000000000000 54.735610317245346 0.021093750000000 -135.000000000000000 125.264389682754654 0.021093750000000 45.000000000000007 25.239401820678914 0.020173335537919 45.000000000000007 154.760598179321107 0.020173335537919 -45.000000000000007 25.239401820678914 0.020173335537919 -45.000000000000007 154.760598179321107 0.020173335537919 135.000000000000000 25.239401820678914 0.020173335537919 135.000000000000000 154.760598179321107 0.020173335537919 -135.000000000000000 25.239401820678914 0.020173335537919 -135.000000000000000 154.760598179321107 0.020173335537919 71.565051177077990 72.451599386207704 0.020173335537919 -71.565051177077990 72.451599386207704 0.020173335537919 71.565051177077990 107.548400613792296 0.020173335537919 -71.565051177077990 107.548400613792296 0.020173335537919 108.434948822922010 72.451599386207704 0.020173335537919 -108.434948822922010 72.451599386207704 0.020173335537919 108.434948822922010 107.548400613792296 0.020173335537919 -108.434948822922010 107.548400613792296 0.020173335537919 18.434948822922017 72.451599386207704 0.020173335537919 161.565051177077976 72.451599386207704 0.020173335537919 18.434948822922017 107.548400613792296 0.020173335537919 161.565051177077976 107.548400613792296 0.020173335537919 -18.434948822922017 72.451599386207704 0.020173335537919 -161.565051177077976 72.451599386207704 0.020173335537919 -18.434948822922017 107.548400613792296 0.020173335537919 -161.565051177077976 107.548400613792296 0.020173335537919 Order = 74 LMAXW = 13 max error = 3.5e-15 Order = 86 LMAXW = 15 max error = 2.1e-15 Order = 110 LMAXW = 17 max error = 1.9e-15 Order = 146 LMAXW = 19 max error = 6.7e-15 Order = 170 LMAXW = 21 max error = 3.3e-15 Order = 194 LMAXW = 23 max error = 2.2e-15 Order = 230 LMAXW = 25 max error = 4.7e-15 Order = 266 LMAXW = 27 max error = 6.8e-15 Order = 302 LMAXW = 29 max error = 5.9e-15 Order = 350 LMAXW = 31 max error = 7.4e-15 Order = 434 LMAXW = 35 max error = 4.9e-15 Order = 590 LMAXW = 41 max error = 5.1e-15 Order = 770 LMAXW = 47 max error = 5.1e-15 Order = 974 LMAXW = 53 max error = 6.2e-15 Order = 1202 LMAXW = 59 max error = 6.7e-15 Order = 1454 LMAXW = 65 max error = 8.4e-15 Order = 1730 LMAXW = 71 max error = 9.9e-15 Order = 2030 LMAXW = 77 max error = 1.2e-14 Order = 2354 LMAXW = 83 max error = 1.4e-14 Order = 2702 LMAXW = 89 max error = 1.3e-14 Order = 3074 LMAXW = 95 max error = 1.7e-14 Order = 3470 LMAXW = 101 max error = 1.2e-14 Order = 3890 LMAXW = 107 max error = 1.8e-14 Order = 4334 LMAXW = 113 max error = 1.8e-14 Order = 4802 LMAXW = 119 max error = 1.6e-14 Order = 5294 LMAXW = 125 max error = 2.1e-14 Order = 5810 LMAXW = 131 max error = 1.9e-14 SPHERE_LEBEDEV_RULE_TEST Normal end of execution. 21 January 2020 08:58:09 AM