crystal_coordinates, a Fortran90 code which generates the coordinates of a set of 4 * NX * NY * NZ points in a rectangular block of NX * NY * NZ cells, with face-centered cubic (FCC) symmetry.
The user is allowed to specify the width of a cell, and the maximum magnitude of a random displacement of each point.
The coordinate data is written to a file that can be used for visualization, or more likely as the initial condition for the coordinates of molecules in a molecular dynamics simulation.
Inputs:
The output file has a single initial line of the form
% F n x-width y-width z-widthwhere
The information on this web page is distributed under the MIT license.
crystal_coordinates is available in a Fortran90 version.
md1, a Fortran90 code which is a molecular dynamics simulation program.
md2, a Fortran90 code which is a molecular dynamics simulation program.
md3, a Fortran90 code which is a molecular dynamics simulation program.
md3glue, a Fortran90 code which is a molecular dynamics simulation program.
mdbnch, a Fortran77 code which carries out a molecular dynamics benchmark.
xyz_display, a MATLAB code which reads XYZ information defining points in 3D, and displays an image in the MATLAB graphics window.
xyz_display_opengl, a C++ code which reads XYZ information defining points in 3D, and displays an image using OpenGL.