Gromacs
2020.4
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#include "gmxpre.h"
#include "settletestrunners.h"
#include "config.h"
#include <gtest/gtest.h>
#include "gromacs/mdlib/settle.h"
#include "testutils/testasserts.h"
Defines the test runner for CPU version of SETTLE.
Also adds stub for the GPU version to keep the compiler happy.
Functions | |
void | gmx::test::applySettle (SettleTestData *testData, t_pbc pbc, bool updateVelocities, bool calcVirial, const std::string &testDescription) |
Apply SETTLE using CPU version of the algorithm. More... | |