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Implemented by Viacheslav Bolnykh and Jógvan Magnus Haugaard Olsen. MiMiC is a framework for multiscale modeling. Currently capable of coupling GROMACS and CPMD for QM/MM MD simulations. See https://mimic-project.org/ for more information.
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I know that no procedure for testing and code review has been set up yet so it cannot be merged at the moment. However, we may as well get started sooner rather than later, and here is some work that we would like to get into CPMD. |
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Other people involved are @ippoliti and @dmandelli |
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@foeroyingur is it possible to split it in several commits? |
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It could be split into two commits without too much effort. This work started some years ago and unfortunately it is not trivial to split it into many convenient parts. |
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MiMiC is a framework for multiscale modeling. Currently capable of coupling GROMACS and CPMD for QM/MM MD simulations. See https://mimic-project.org/ for more information.
Implemented by Viacheslav Bolnykh and Jógvan Magnus Haugaard Olsen.