Gromacs
2020.4
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#include "settletestdata.h"
Declaration of the SETTLE tests runners.
Declares the functions that do the buffer management and apply SETTLE constraints ("test runners").
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... | |
void | gmx::test::applySettleGpu (SettleTestData *testData, t_pbc pbc, bool updateVelocities, bool calcVirial, const std::string &testDescription) |
Apply SETTLE using GPU version of the algorithm. More... | |