qmmmforceprovider.cpp File Reference

#include "gmxpre.h"
#include "qmmmforceprovider.h"
#include <libcp2k.h>
#include "gromacs/gmxlib/network.h"
#include "gromacs/math/units.h"
#include "gromacs/mdtypes/enerdata.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/filestream.h"
#include "gromacs/utility/mpicomm.h"
#include "gromacs/utility/stringutil.h"

Include dependency graph for qmmmforceprovider.cpp:

Description

Implements force provider for QMMM.

Author

Dmitry Morozov dmitr.nosp@m.y.mo.nosp@m.rozov.nosp@m.@jyu.nosp@m..fi

Christian Blau blau@.nosp@m.kth..nosp@m.se

Functions
void	gmx::anonymous_namespace{qmmmforceprovider.cpp}::writeStringToFile (const std::string &filename, const std::string &str)
	Helper function that dumps string into the file. More...
std::string	gmx::qmmmDescription ()
	Returns information for describing the CP2K QM/MM support.