ewaldsurfaceterm.cpp File Reference

#include "gmxpre.h"
#include <memory>
#include <string>
#include <vector>
#include <gtest/gtest.h>
#include "gromacs/topology/idef.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/trajectory/trajectoryframe.h"
#include "gromacs/utility/basenetwork.h"
#include "gromacs/utility/filestream.h"
#include "gromacs/utility/strconvert.h"
#include "gromacs/utility/stringutil.h"
#include "testutils/mpitest.h"
#include "testutils/refdata.h"
#include "testutils/simulationdatabase.h"
#include "testutils/testasserts.h"
#include "testutils/trajectoryreader.h"
#include "energycomparison.h"
#include "moduletest.h"

Include dependency graph for ewaldsurfaceterm.cpp:

Description

Test for Ewald 3DC and epsilon-surface terms.

Author

Berk Hess hess@.nosp@m.kth..nosp@m.se

Classes
class	gmx::test::anonymous_namespace{ewaldsurfaceterm.cpp}::EwaldSurfaceTermTest
	Test fixture base for simple mdrun systems. More...

Typedefs
using	gmx::test::anonymous_namespace{ewaldsurfaceterm.cpp}::MdpField = MdpFieldValues::value_type
	Helper type.

Variables
std::vector< std::string >	gmx::test::anonymous_namespace{ewaldsurfaceterm.cpp}::surfaceTerm = { "3DC", "epsilon-surface-constraint", "epsilon-surface" }
	Containers of systems to test.