settletestdata.cpp File Reference

#include "gmxpre.h"
#include "settletestdata.h"
#include <algorithm>
#include <unordered_map>
#include <vector>
#include <gtest/gtest.h>
#include "gromacs/gpu_utils/gpu_utils.h"
#include "gromacs/math/paddedvector.h"
#include "gromacs/math/vec.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdlib/settle.h"
#include "gromacs/mdlib/tests/watersystem.h"
#include "gromacs/mdtypes/mdatom.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/topology/idef.h"
#include "gromacs/topology/ifunc.h"
#include "gromacs/topology/topology.h"
#include "gromacs/utility/smalloc.h"
#include "gromacs/utility/stringutil.h"
#include "gromacs/utility/unique_cptr.h"
#include "testutils/testasserts.h"

Include dependency graph for settletestdata.cpp:

Description

Defines the class that accumulates SETTLE test data.

Author

Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Artem Zhmurov zhmur.nosp@m.ov@g.nosp@m.mail..nosp@m.com