Gromacs
2024.4
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#include <vector>
#include "gromacs/gpu_utils/gpu_utils.h"
#include "gromacs/math/matrix.h"
#include "gromacs/math/vec.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdlib/update.h"
#include "gromacs/mdtypes/fcdata.h"
#include "gromacs/mdtypes/group.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/mdatom.h"
#include "gromacs/mdtypes/state.h"
#include "gromacs/utility/stringutil.h"
Tests for the Leap-Frog integrator.
Add anisotropic Parrinello-Rahman and other pressure coupling schemes
Add PBC handling test.
Reference values tests.