GitHub - XiaohanZhangCMU/mdGpy: Python driven Molecular Dynamics simulator with GPU support.

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Python driven Molecular Dynamics simulator with GPU support.

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Name		Name	Last commit message	Last commit date
Latest commit History 9 Commits
Fortran		Fortran
Tools		Tools
lib		lib
phasefield		phasefield
potentials		potentials
scripts		scripts
src		src
structures		structures
.gitignore		.gitignore
README		README
makefile		makefile

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MD++ simulation code package with Python and GPU supports

09/03/2006

Wei Cai, Department of Mechanical Engineering, Stanford Unveristy
Xiaohan Zhang, Department of Mechanical Engineering, Stanford Unveristy

For more information, see subdirectory MD++/Doc, e.g.

        Doc/M01_MD++_v2.pdf

To compile, type:
        
        gmake [fs/sw/clean/...] [SYS=gpp/cygwin/...] [build=D/R]

To run examples, type:

        bin/fs_gpp scripts/Examples/example01-mo.script

        bin/sw_gpp scripts/Examples/example02-si.script

        bin/eam_gpp scripts/Examples/example03-cu.script

For more examples and tutorials, go to:

MD++ web site
	http://micro.stanford.edu/~caiwei/Forum/2004-12-12-MD++/

Companion web site for book "Computer Simulations of Dislocations",
  Vasily V. Bulatov and Wei Cai, Oxford Univeristy Press (2006)
	http://micro.stanford.edu/~caiwei/CSD-Book/