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


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
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: