gmx::test::anonymous_namespace{langevin.cpp}::LangevinTestParameters Struct Reference

Collaboration diagram for gmx::test::anonymous_namespace{langevin.cpp}::LangevinTestParameters:

Description

The parameters for the test.

The test will run for combinations of:

1. Number of atoms
2. Timestep
3. Number of steps
4. Velocity components
5. Force components
6. Number of temperature coupling groups
7. Temperatures
8. Tau-t (inverse friction constant) for all temp. coupling groups
9. Random seed

Public Attributes
int	numAtoms
	Total number of atoms.
real	timestep
	Timestep.
int	numSteps
	Number of integration steps.
RVec	v
	Initial velocity.
RVec	f
	Constant force.
int	numTCoupleGroups
	Number of temperature coupling group (zero for no temperature coupling)
real	temperature
	Temperature.
real	tauT
	tau-t is controlling the inverse friction constant
int	seed
	Random seed for the Langevin integrator.

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

• src/gromacs/mdlib/tests/langevin.cpp