Gromacs
2024.4
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#include "gmxpre.h"
#include "leapfrogtestdata.h"
#include <cassert>
#include <cmath>
#include <algorithm>
#include <unordered_map>
#include <vector>
#include <gtest/gtest.h>
#include "gromacs/gpu_utils/gpu_utils.h"
#include "gromacs/math/vec.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdtypes/mdatom.h"
#include "gromacs/utility/smalloc.h"
#include "gromacs/utility/stringutil.h"
#include "testutils/refdata.h"
#include "testutils/testasserts.h"
Defines the class to accumulate the data needed for the Leap-Frog integrator tests.