topology_types::topology_parameters_type Type Reference

Data Fields
type(atom_info_type), pointer	atom_info
type(connectivity_info_type), pointer	conn_info
type(constraint_info_type), pointer	cons_info
type(cell_type), pointer	cell
type(cell_type), pointer	cell_ref
type(cell_type), pointer	cell_muc
integer	conn_type
integer	coord_type
integer	exclude_vdw
integer	exclude_ei
integer	bondparm_type
integer	natoms
integer	natom_type
integer	nmol
integer	nmol_type
integer	nmol_conn
logical	aa_element
logical	molname_generated
real(kind=dp)	bondparm_factor
logical	create_molecules
logical	reorder_atom
logical	molecules_check
logical	coordinate
logical	use_g96_velocity
character(len=default_path_length)	coord_file_name
character(len=default_path_length)	conn_file_name
logical	const_atom
logical	const_hydr
logical	const_colv
logical	const_33
logical	const_46
logical	const_vsite
logical	charge_occup
logical	charge_beta
logical	charge_extended
logical	para_res

Detailed Description

Definition at line 142 of file topology_types.F.

Field Documentation

atom_info

type(atom_info_type), pointer topology_types::topology_parameters_type::atom_info

Definition at line 143 of file topology_types.F.

conn_info

type(connectivity_info_type), pointer topology_types::topology_parameters_type::conn_info

Definition at line 144 of file topology_types.F.

cons_info

type(constraint_info_type), pointer topology_types::topology_parameters_type::cons_info

Definition at line 145 of file topology_types.F.

cell

type(cell_type), pointer topology_types::topology_parameters_type::cell

Definition at line 146 of file topology_types.F.

cell_ref

type(cell_type), pointer topology_types::topology_parameters_type::cell_ref

Definition at line 146 of file topology_types.F.

cell_muc

type(cell_type), pointer topology_types::topology_parameters_type::cell_muc

Definition at line 146 of file topology_types.F.

conn_type

integer topology_types::topology_parameters_type::conn_type

Definition at line 147 of file topology_types.F.

coord_type

integer topology_types::topology_parameters_type::coord_type

Definition at line 148 of file topology_types.F.

exclude_vdw

integer topology_types::topology_parameters_type::exclude_vdw

Definition at line 149 of file topology_types.F.

exclude_ei

integer topology_types::topology_parameters_type::exclude_ei

Definition at line 150 of file topology_types.F.

bondparm_type

integer topology_types::topology_parameters_type::bondparm_type

Definition at line 151 of file topology_types.F.

natoms

integer topology_types::topology_parameters_type::natoms

Definition at line 153 of file topology_types.F.

natom_type

integer topology_types::topology_parameters_type::natom_type

Definition at line 153 of file topology_types.F.

nmol

integer topology_types::topology_parameters_type::nmol

Definition at line 154 of file topology_types.F.

nmol_type

integer topology_types::topology_parameters_type::nmol_type

Definition at line 154 of file topology_types.F.

nmol_conn

integer topology_types::topology_parameters_type::nmol_conn

Definition at line 154 of file topology_types.F.

aa_element

logical topology_types::topology_parameters_type::aa_element

Definition at line 156 of file topology_types.F.

molname_generated

logical topology_types::topology_parameters_type::molname_generated

Definition at line 157 of file topology_types.F.

bondparm_factor

real(kind=dp) topology_types::topology_parameters_type::bondparm_factor

Definition at line 158 of file topology_types.F.

create_molecules

logical topology_types::topology_parameters_type::create_molecules

Definition at line 159 of file topology_types.F.

reorder_atom

logical topology_types::topology_parameters_type::reorder_atom

Definition at line 160 of file topology_types.F.

molecules_check

logical topology_types::topology_parameters_type::molecules_check

Definition at line 161 of file topology_types.F.

coordinate

logical topology_types::topology_parameters_type::coordinate

Definition at line 162 of file topology_types.F.

use_g96_velocity

logical topology_types::topology_parameters_type::use_g96_velocity

Definition at line 163 of file topology_types.F.

coord_file_name

character(len=default_path_length) topology_types::topology_parameters_type::coord_file_name

Definition at line 164 of file topology_types.F.

conn_file_name

character(len=default_path_length) topology_types::topology_parameters_type::conn_file_name

Definition at line 165 of file topology_types.F.

const_atom

logical topology_types::topology_parameters_type::const_atom

Definition at line 166 of file topology_types.F.

const_hydr

logical topology_types::topology_parameters_type::const_hydr

Definition at line 167 of file topology_types.F.

const_colv

logical topology_types::topology_parameters_type::const_colv

Definition at line 168 of file topology_types.F.

const_33

logical topology_types::topology_parameters_type::const_33

Definition at line 169 of file topology_types.F.

const_46

logical topology_types::topology_parameters_type::const_46

Definition at line 170 of file topology_types.F.

const_vsite

logical topology_types::topology_parameters_type::const_vsite

Definition at line 171 of file topology_types.F.

charge_occup

logical topology_types::topology_parameters_type::charge_occup

Definition at line 172 of file topology_types.F.

charge_beta

logical topology_types::topology_parameters_type::charge_beta

Definition at line 173 of file topology_types.F.

charge_extended

logical topology_types::topology_parameters_type::charge_extended

Definition at line 174 of file topology_types.F.

para_res

logical topology_types::topology_parameters_type::para_res

Definition at line 175 of file topology_types.F.

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The documentation for this type was generated from the following file:

• topology_types.F