pint_methods Module Reference

Methods to performs a path integral run. More...

Functions/Subroutines
subroutine, public	do_pint_run (para_env, input, input_declaration, globenv)
	Perform a path integral simulation. More...

Detailed Description

Methods to performs a path integral run.

Author

fawzi

History

02.2005 created [fawzi] 11.2006 modified so it might actually work [hforbert] 10.2015 added RPMD propagator 10.2015 added exact harmonic integrator [Felix Uhl]

Note

quick & dirty rewrite of my python program

Function/Subroutine Documentation

do_pint_run()

subroutine, public pint_methods::do_pint_run	(	type(mp_para_env_type), pointer	para_env,
		type(section_vals_type), pointer	input,
		type(section_type), pointer	input_declaration,
		type(global_environment_type), pointer	globenv
	)

Perform a path integral simulation.

Parameters

para_env	parallel environment
input	the input to test
input_declaration	...
globenv	...

History

2003-11 created [fawzi] 2009-12-14 globenv parameter added to handle soft exit requests [lwalewski] 2016-07-14 Modified to work with independent helium_env [cschran]

Author

Fawzi Mohamed

Definition at line 855 of file pint_methods.F.