CRYSTAL_COORDINATES是一个FORTRAN90程序，使用双精度运算，它产生，一套4 * NX的*NY*NZ 的坐标,分在一个长方形块NX*NY*NZ单元内。
用户可以指定单元的宽度，每一个点的最大的随机位移。
坐标数据写入到一个文件，可用于可视化，或更可能作为初始条件的坐标分子在分子动力学模拟。
CRYSTAL_COORDINATES is a FORTRAN90 program, using double precision arithmetic, 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 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.
(2009-08-06, Fortran, 106KB, 下载21次)