qmmm.cpp File Reference

#include "gmxpre.h"
#include "gromacs/applied_forces/qmmm/qmmm.h"
#include <gtest/gtest.h>
#include "gromacs/gmxlib/network.h"
#include "gromacs/math/paddedvector.h"
#include "gromacs/math/vec.h"
#include "gromacs/mdrunutility/mdmodulesnotifiers.h"
#include "gromacs/mdtypes/enerdata.h"
#include "gromacs/mdtypes/forceoutput.h"
#include "gromacs/mdtypes/iforceprovider.h"
#include "gromacs/mdtypes/imdmodule.h"
#include "gromacs/mdtypes/imdpoptionprovider.h"
#include "gromacs/mdtypes/mdatom.h"
#include "gromacs/options/options.h"
#include "gromacs/options/treesupport.h"
#include "gromacs/utility/keyvaluetreebuilder.h"
#include "gromacs/utility/keyvaluetreetransform.h"
#include "gromacs/utility/real.h"
#include "gromacs/utility/smalloc.h"
#include "gromacs/utility/stringcompare.h"
#include "testutils/testasserts.h"
#include "testutils/testfilemanager.h"
#include "testutils/testmatchers.h"

Include dependency graph for qmmm.cpp:

Description

Tests for functionality of the QMMM module.

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