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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.
 

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