Gromacs
2019-rc1
|
Inherits TestWithParam< SettleTestParameters >.
Test fixture for testing SETTLE position updates.
Public Attributes | |
std::vector< gmx::RVec > | updatedPositions_ |
Updated water atom positions to constrain (DIM reals per atom) | |
std::vector< gmx::RVec > | velocities_ |
Water atom velocities to constrain (DIM reals per atom) | |
t_pbc | pbcNone_ |
PBC option to test: none. | |
t_pbc | pbcXYZ_ |
PBC option to test: xyz. | |