文件名称:mdsimulation
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- 上传时间：2012-11-16
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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.
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.
相关搜索： 分子 模拟
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下载文件列表
molecular dynamics simulation/crystal_10_10_10.txt
molecular dynamics simulation/crystal_10_10_10_input.txt
molecular dynamics simulation/crystal_10_10_10_output.txt
molecular dynamics simulation/crystal_coordinates.csh
molecular dynamics simulation/crystal_coordinates.f90
molecular dynamics simulation/Read ME.txt
molecular dynamics simulation
molecular dynamics simulation/crystal_10_10_10_input.txt
molecular dynamics simulation/crystal_10_10_10_output.txt
molecular dynamics simulation/crystal_coordinates.csh
molecular dynamics simulation/crystal_coordinates.f90
molecular dynamics simulation/Read ME.txt
molecular dynamics simulation
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