mixed_main Module Reference

perform biased molecular dynamics (H= k H1 + (1-k) H2 [linear or general mixing) More...

Functions/Subroutines
subroutine, public	mixed_create_force_env (mixed_env, root_section, para_env, force_env_section, n_subforce_eval, use_motion_section)
	Controls program flow for mixed calculations. More...

Detailed Description

perform biased molecular dynamics (H= k H1 + (1-k) H2 [linear or general mixing)

Author

fschiff 11.06

Function/Subroutine Documentation

mixed_create_force_env()

subroutine, public mixed_main::mixed_create_force_env	(	type(mixed_environment_type), intent(out)	mixed_env,
		type(section_vals_type), pointer	root_section,
		type(mp_para_env_type), pointer	para_env,
		type(section_vals_type), pointer	force_env_section,
		integer, intent(in)	n_subforce_eval,
		logical, intent(in)	use_motion_section
	)

Controls program flow for mixed calculations.

Parameters

mixed_env	...
root_section	...
para_env	...
force_env_section	...
n_subforce_eval	...
use_motion_section	...

Author

fschiff

Definition at line 49 of file mixed_main.F.

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