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MolDS

  • Openness:3 ★★★
  • Document quality:1 ★☆☆

An application for semi-empirical quantum chemistry calculation. Special emphasis is placed on molecular dynamics simulations, and is able to run efficiently on large-scale cluster computer systems using OpenMP/MPI hybrid parallelism. The code is still under development, but the source code is distributed freely under the GPL license.

Information
Last Update:2021/03/05

Official site

https://osdn.net/projects/molds/

License

GPL ver.3 Email : mold-dev@lists.sourceforge.jp
Availability Compiling on Unix/Linux is required. C++, MPI compiler(e.g. Intel MPI or Open MPI), Boost C++, Linear Algebra Package are used http://svn.sourceforge.jp/svnroot/molds/tags/0.3.1/doc/README.txt
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