Integrate multiple-replicas MPI communicator into library, support GROMACS multisim #720
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Also ignore errors when patchiing CMake recipes
Simplified version of the code in Colvars/gromacs#4 Patch core GROMACS files
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Should I rebase #709 to use |
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Moves member data and functions from the LAMMPS interface to the library, with the purpose of being reused in GROMACS.
The preprocessor macro
COLVARS_MPIcontrols whetherMPI_Commis defined: if it isn't it is defined avoid *via typedef by default. Both LAMMPS and GROMACS set that macro in different ways:NAMD ignores it altogether and continues to use derived-class functions.
TODO: unit and functional tests for the GROMACS interface feature.