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gmx::test::SettleTest Class Reference

Inherits TestWithParam< SettleTestParameters >.

+ Collaboration diagram for gmx::test::SettleTest:


Test fixture for testing SETTLE position updates.

This also tests that if the calling code requires velocities and virial updates, that those outputs do change, but does not test that those changes are correct.
Only no-PBC and cubic-PBC are tested here, but the correct function of the SIMD version of set_pbx_auic in all cases should be tested elsewhere.

Public Attributes

std::vector< gmx::RVecupdatedPositions_
 Updated water atom positions to constrain (DIM reals per atom)
std::vector< gmx::RVecvelocities_
 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.

The documentation for this class was generated from the following file: