qmmmx_create Module Reference

Initialize a QM/MM calculation with Force-Mixing. More...

Functions/Subroutines
subroutine, public	qmmmx_env_create (qmmmx_env, root_section, para_env, globenv, force_env_section, subsys_section, use_motion_section)
	...

Detailed Description

Initialize a QM/MM calculation with Force-Mixing.

Author

Ole Schuett

Function/Subroutine Documentation

qmmmx_env_create()

subroutine, public qmmmx_create::qmmmx_env_create	(	type(qmmmx_env_type), intent(out)	qmmmx_env,
		type(section_vals_type), pointer	root_section,
		type(mp_para_env_type), pointer	para_env,
		type(global_environment_type), pointer	globenv,
		type(section_vals_type), pointer	force_env_section,
		type(section_vals_type), pointer	subsys_section,
		logical, intent(in)	use_motion_section
	)

...

Parameters

qmmmx_env	...
root_section	...
para_env	...
globenv	...
force_env_section	...
subsys_section	...
use_motion_section	...

History

02.2012 created [noam]

Author

Noam Bernstein

Definition at line 51 of file qmmmx_create.F.

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