Gromacs
2020.2
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#include "constrtestdata.h"
SHAKE and LINCS tests header.
Contains description and constructor for the test data accumulating object, declares CPU- and GPU-based functions used to apply SHAKE or LINCS on the test data.
Functions | |
void | gmx::test::applyShake (ConstraintsTestData *testData, t_pbc pbc) |
Initialize and apply SHAKE constraints. More... | |
void | gmx::test::applyLincs (ConstraintsTestData *testData, t_pbc pbc) |
Initialize and apply LINCS constraints. More... | |
void | gmx::test::applyLincsCuda (ConstraintsTestData *testData, t_pbc pbc) |
Apply CUDA version of LINCS constraints to the test data. More... | |