force_field_kind_types.F File Reference

#include "../base/base_uses.f90"

Go to the source code of this file.

Data Types
type	force_field_kind_types::legendre_data_type
type	force_field_kind_types::bond_kind_type
type	force_field_kind_types::bend_kind_type
type	force_field_kind_types::ub_kind_type
type	force_field_kind_types::torsion_kind_type
type	force_field_kind_types::impr_kind_type
type	force_field_kind_types::opbend_kind_type

Modules
module	force_field_kind_types
	Define all structure types related to force field kinds.

Functions/Subroutines
pure subroutine, public	force_field_kind_types::allocate_bend_kind_set (bend_kind_set, nkind)
	Allocate and initialize a bend kind set.
pure subroutine, public	force_field_kind_types::allocate_bond_kind_set (bond_kind_set, nkind)
	Allocate and initialize a bond kind set.
pure subroutine, public	force_field_kind_types::allocate_torsion_kind_set (torsion_kind_set, nkind)
	Allocate and initialize a torsion kind set.
pure subroutine, public	force_field_kind_types::allocate_ub_kind_set (ub_kind_set, nkind)
	Allocate and initialize a ub kind set.
pure subroutine, public	force_field_kind_types::allocate_impr_kind_set (impr_kind_set, nkind)
	Allocate and initialize a impr kind set.
pure subroutine, public	force_field_kind_types::allocate_opbend_kind_set (opbend_kind_set, nkind)
	Allocate and initialize a opbend kind set.
pure subroutine, public	force_field_kind_types::deallocate_bend_kind_set (bend_kind_set)
	Deallocate a bend kind set.
pure subroutine, public	force_field_kind_types::deallocate_bond_kind_set (bond_kind_set)
	Deallocate a bond kind set.
pure subroutine, public	force_field_kind_types::torsion_kind_dealloc_ref (torsion_kind)
	Deallocate a torsion kind element.
pure subroutine, public	force_field_kind_types::ub_kind_dealloc_ref (ub_kind_set)
	Deallocate a ub kind set.
pure subroutine, public	force_field_kind_types::impr_kind_dealloc_ref ()
	Deallocate a impr kind element.

Variables
integer, parameter, public	force_field_kind_types::do_ff_undef = 0
integer, parameter, public	force_field_kind_types::do_ff_quartic = 1
integer, parameter, public	force_field_kind_types::do_ff_g96 = 2
integer, parameter, public	force_field_kind_types::do_ff_charmm = 3
integer, parameter, public	force_field_kind_types::do_ff_harmonic = 4
integer, parameter, public	force_field_kind_types::do_ff_g87 = 5
integer, parameter, public	force_field_kind_types::do_ff_morse = 6
integer, parameter, public	force_field_kind_types::do_ff_cubic = 7
integer, parameter, public	force_field_kind_types::do_ff_mixed_bend_stretch = 8
integer, parameter, public	force_field_kind_types::do_ff_amber = 9
integer, parameter, public	force_field_kind_types::do_ff_mm2 = 10
integer, parameter, public	force_field_kind_types::do_ff_mm3 = 11
integer, parameter, public	force_field_kind_types::do_ff_mm4 = 12
integer, parameter, public	force_field_kind_types::do_ff_fues = 13
integer, parameter, public	force_field_kind_types::do_ff_legendre = 14
integer, parameter, public	force_field_kind_types::do_ff_opls = 15