mdctrl_methods Module Reference

A common interface (wrapper) for a callback into the md_run loop. Currently this is only used by the glbopt machinery, but its meant to be extended if others need to control the md_run loop, too. More...

Functions/Subroutines
subroutine, public	mdctrl_callback (mdctrl, md_env, should_stop)
	This is called by md_run for each step during during its main-loop. More...

Detailed Description

A common interface (wrapper) for a callback into the md_run loop. Currently this is only used by the glbopt machinery, but its meant to be extended if others need to control the md_run loop, too.

History

11.2012 created [Ole]

Author

Ole

Function/Subroutine Documentation

mdctrl_callback()

subroutine, public mdctrl_methods::mdctrl_callback	(	type(mdctrl_type), pointer	mdctrl,
		type(md_environment_type), pointer	md_env,
		logical, intent(inout)	should_stop
	)

This is called by md_run for each step during during its main-loop.

Parameters

mdctrl	data which is passed on to the wrapped client-routine
md_env	contains the current state of the md_run
should_stop	can be used to abort the md_run

Definition at line 38 of file mdctrl_methods.F.

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