gmx::test::anonymous_namespace{leapfrog.cpp}::LeapFrogTestParameters Struct Reference

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

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)
int	nstpcouple
	Number of steps between pressure coupling steps (zero for no pressure coupling).

---

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

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