qmmm_ff_fist Module Reference

Functions/Subroutines
logical function, public	qmmm_ff_precond_only_qm (id1, id2, id3, id4, is_link)
	This function handles the atom names and modifies the "_QM_" prefix, in order to find the parameters and return .TRUE. if all input labels belong to QM atoms.

Detailed Description

Author

teo

Function/Subroutine Documentation

qmmm_ff_precond_only_qm()

logical function, public qmmm_ff_fist::qmmm_ff_precond_only_qm	(	character(len=default_string_length), intent(inout)	id1,
		character(len=default_string_length), intent(inout), optional	id2,
		character(len=default_string_length), intent(inout), optional	id3,
		character(len=default_string_length), intent(inout), optional	id4,
		logical, intent(out), optional	is_link
	)

This function handles the atom names and modifies the "_QM_" prefix, in order to find the parameters and return .TRUE. if all input labels belong to QM atoms.

Parameters

id1	...
id2	...
id3	...
id4	...
is_link	...

Returns

...

History

11.2004 created [tlaino]

Author

Teodoro Laino

Definition at line 38 of file qmmm_ff_fist.F.

Here is the caller graph for this function: