tamc_run Module Reference

Perform a temperature accelarated hybrid monte carlo (TAHMC) run using QUICKSTEP. More...

Functions/Subroutines
subroutine, public	qs_tamc (force_env, globenv, averages)
	Driver routine for TAHMC. More...

Detailed Description

Perform a temperature accelarated hybrid monte carlo (TAHMC) run using QUICKSTEP.

History

none

Author

Alin M Elena

Function/Subroutine Documentation

qs_tamc()

subroutine, public tamc_run::qs_tamc	(	type(force_env_type), pointer	force_env,
		type(global_environment_type), pointer	globenv,
		type(average_quantities_type), optional, pointer	averages
	)

Driver routine for TAHMC.

Parameters

force_env	...
globenv	...
averages	...

Author

Alin M Elena

Note

it computes the forces using QuickStep.

Definition at line 146 of file tamc_run.F.