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mdsimulation

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  • Update : 2012-11-26
  • Size : 106kb
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  • Author :max****
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Introduction - If you have any usage issues, please Google them yourself
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.
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molecular dynamics simulation
.............................\crystal_10_10_10.txt
.............................\crystal_10_10_10_input.txt
.............................\crystal_10_10_10_output.txt
.............................\crystal_coordinates.csh
.............................\crystal_coordinates.f90
.............................\Read ME.txt
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