nnpotforceprovider_stub.cpp File Reference

#include "gmxpre.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/mpicomm.h"
#include "nnpotforceprovider.h"
#include "nnpotoptions.h"

Include dependency graph for nnpotforceprovider_stub.cpp:

Description

Stub implementation of the NNPot Force Provider class. Compiled in case Libtorch/NN backend is not linked.

Author

Lukas Müllender lukas.nosp@m..mue.nosp@m.llend.nosp@m.er@g.nosp@m.mail..nosp@m.com

Functions
	gmx::atomNumbers_ (params_.numAtoms_,-1)
	gmx::inputToLocalIndex_ (params_.numAtoms_,-1)
	gmx::logger_ (logger)
	gmx::mpiComm_ (mpiComm)