Gromacs
2024.4
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#include "gmxpre.h"
#include <map>
#include <memory>
#include <string>
#include <tuple>
#include <unordered_map>
#include <vector>
#include <gtest/gtest.h>
#include "gromacs/options/filenameoption.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 "testutils/xvgtest.h"
#include "energycomparison.h"
#include "moduletest.h"
Simple tests for the mdrun functionality.
Classes | |
class | gmx::test::anonymous_namespace{simple_mdrun.cpp}::SimpleMdrunTest |
Test fixture base for simple mdrun systems. More... | |
Typedefs | |
using | gmx::test::anonymous_namespace{simple_mdrun.cpp}::MdpField = MdpFieldValues::value_type |
Helper type. | |
Functions | |
gmx::test::anonymous_namespace{simple_mdrun.cpp}::GTEST_ALLOW_UNINSTANTIATED_PARAMETERIZED_TEST (SimpleMdrunTest) | |
Variables | |
std::unordered_map < std::string, FloatingPointTolerance > | gmx::test::anonymous_namespace{simple_mdrun.cpp}::energyToleranceForSystem_g |
Database of enerngy tolerances for MD integrator on the various systems. More... | |
std::unordered_map < std::string, FloatingPointTolerance > | gmx::test::anonymous_namespace{simple_mdrun.cpp}::pressureToleranceForSystem_g |
Database of pressure tolerances for MD integrator on the various systems. More... | |