Information
Official site
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 |
|---|---|
| Related keywords |
MolDS
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.