Gromacs
2021-beta2-UNCHECKED
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#include "gmxpre.h"
#include "config.h"
#include <assert.h>
#include <unordered_map>
#include <vector>
#include <gtest/gtest.h>
#include "gromacs/math/vec.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/utility/stringutil.h"
#include "testutils/test_hardware_environment.h"
#include "testutils/testasserts.h"
#include "constrtestdata.h"
#include "constrtestrunners.h"
SHAKE and LINCS tests.
Better tests for virial are needed.
Tests for bigger systems to test threads synchronization, reduction, etc. on the GPU.
Tests for algorithms for derivatives.
Free-energy perturbation tests
Classes | |
class | gmx::test::anonymous_namespace{constr.cpp}::ConstraintsTest |
Test fixture for constraints. More... | |