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This is MolDS ("Mol"ecular "D"ynamics simulation package with "S"emiempirical quantum chemistry) project! Version 0 is under construction. So, although an official tarball have not been released yet, you can download source code from subversion repository:




Ver. 0.4(Under development): http://svn.sourceforge.jp/svnroot/molds/trunk
Ver. 0.3.1: http://svn.sourceforge.jp/svnroot/molds/tags/0.3.1
Ver. 0.3: http://svn.sourceforge.jp/svnroot/molds/tags/0.3.0
Ver. 0.2: http://svn.sourceforge.jp/svnroot/molds/tags/0.2.0
Ver. 0.1: http://svn.sourceforge.jp/svnroot/molds/tags/0.1.0

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2016-08-22 20:34
Resenha por guillaumegodin

Rating:
(9 of 21 people found this review helpful)
great. it works and give opportunity to improve it.
Cons
explain how to build the .in file clearly. how to extend to rm1 + adding Br/I atoms ?
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Recent Activities

2016-12-21
17:21
MolDS
mikiya_fujii
[Tíquete] Close date of #29965 was set to 2016-12-21 17:21
17:21
MolDS
mikiya_fujii
[Tíquete] Change Status of #29965: Aberto -> Fechado
17:21
MolDS
mikiya_fujii
[Tíquete] Add Comment on ticket #29965
parallelization is implemented r1838
2016-12-15
17:29
MolDS
mikiya_fujii
[SVN] Commit revision 1838
elapsed time of each ehrenfest step is output. #30947 #29965
2016-12-14
09:38
MolDS
mikiya_fujii
[SVN] Commit revision 1837
Molecule::CalcDistanceAtomsEpcs is hybrid(MPI/openMP) re-parallelized. #30947 #29965
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