qmmm_elpot Module Reference

Functions/Subroutines
subroutine, public	qmmm_potential_init (qmmm_coupl_type, mm_el_pot_radius, potentials, pgfs, mm_cell, compatibility, print_section)
	Initialize the QMMM potential stored on vector, according the qmmm_coupl_type. More...

Detailed Description

History

09.2004 created [tlaino]

Author

Teodoro Laino

Function/Subroutine Documentation

qmmm_potential_init()

subroutine, public qmmm_elpot::qmmm_potential_init	(	integer, intent(in)	qmmm_coupl_type,
		real(kind=dp), dimension(:), pointer	mm_el_pot_radius,
		type(qmmm_pot_p_type), dimension(:), pointer	potentials,
		type(qmmm_gaussian_p_type), dimension(:), pointer	pgfs,
		type(cell_type), pointer	mm_cell,
		logical, intent(in)	compatibility,
		type(section_vals_type), pointer	print_section
	)

Initialize the QMMM potential stored on vector, according the qmmm_coupl_type.

Parameters

qmmm_coupl_type	...
mm_el_pot_radius	...
potentials	...
pgfs	...
mm_cell	...
compatibility	...
print_section	...

History

09.2004 created [tlaino]

Author

Teodoro Laino

Definition at line 61 of file qmmm_elpot.F.

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