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Classes
constr.cpp File Reference
#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"
+ Include dependency graph for constr.cpp:

Description

SHAKE and LINCS tests.

Todo:

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

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

Classes

class  gmx::test::anonymous_namespace{constr.cpp}::ConstraintsTest
 Test fixture for constraints. More...