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Data Fields
topology_types::topology_parameters_type Type Reference

Data Fields

type(atom_info_type), pointer atom_info => NULL()
 
type(connectivity_info_type), pointer conn_info => NULL()
 
type(constraint_info_type), pointer cons_info => NULL()
 
type(cell_type), pointer cell => NULL()
 
type(cell_type), pointer cell_ref => NULL()
 
type(cell_type), pointer cell_muc => NULL()
 
integer conn_type = -1
 
integer coord_type = -1
 
integer exclude_vdw = -1
 
integer exclude_ei = -1
 
integer bondparm_type = -1
 
integer natoms = -1
 
integer natom_type = -1
 
integer nmol = -1
 
integer nmol_type = -1
 
integer nmol_conn = -1
 
logical aa_element = .FALSE.
 
logical molname_generated = .FALSE.
 
real(kind=dp) bondparm_factor = -1.0_dp
 
logical create_molecules = .FALSE.
 
logical reorder_atom = .FALSE.
 
logical molecules_check = .FALSE.
 
logical coordinate = .FALSE.
 
logical use_g96_velocity = .FALSE.
 
character(len=default_path_length) coord_file_name = ""
 
character(len=default_path_length) conn_file_name = ""
 
logical const_atom = .FALSE.
 
logical const_hydr = .FALSE.
 
logical const_colv = .FALSE.
 
logical const_33 = .FALSE.
 
logical const_46 = .FALSE.
 
logical const_vsite = .FALSE.
 
logical charge_occup = .FALSE.
 
logical charge_beta = .FALSE.
 
logical charge_extended = .FALSE.
 
logical para_res = .FALSE.
 

Detailed Description

Definition at line 143 of file topology_types.F.

Field Documentation

◆ atom_info

type(atom_info_type), pointer topology_types::topology_parameters_type::atom_info => NULL()

Definition at line 144 of file topology_types.F.

◆ conn_info

type(connectivity_info_type), pointer topology_types::topology_parameters_type::conn_info => NULL()

Definition at line 145 of file topology_types.F.

◆ cons_info

type(constraint_info_type), pointer topology_types::topology_parameters_type::cons_info => NULL()

Definition at line 146 of file topology_types.F.

◆ cell

type(cell_type), pointer topology_types::topology_parameters_type::cell => NULL()

Definition at line 147 of file topology_types.F.

◆ cell_ref

type(cell_type), pointer topology_types::topology_parameters_type::cell_ref => NULL()

Definition at line 147 of file topology_types.F.

◆ cell_muc

type(cell_type), pointer topology_types::topology_parameters_type::cell_muc => NULL()

Definition at line 147 of file topology_types.F.

◆ conn_type

integer topology_types::topology_parameters_type::conn_type = -1

Definition at line 148 of file topology_types.F.

◆ coord_type

integer topology_types::topology_parameters_type::coord_type = -1

Definition at line 149 of file topology_types.F.

◆ exclude_vdw

integer topology_types::topology_parameters_type::exclude_vdw = -1

Definition at line 150 of file topology_types.F.

◆ exclude_ei

integer topology_types::topology_parameters_type::exclude_ei = -1

Definition at line 151 of file topology_types.F.

◆ bondparm_type

integer topology_types::topology_parameters_type::bondparm_type = -1

Definition at line 152 of file topology_types.F.

◆ natoms

integer topology_types::topology_parameters_type::natoms = -1

Definition at line 154 of file topology_types.F.

◆ natom_type

integer topology_types::topology_parameters_type::natom_type = -1

Definition at line 154 of file topology_types.F.

◆ nmol

integer topology_types::topology_parameters_type::nmol = -1

Definition at line 155 of file topology_types.F.

◆ nmol_type

integer topology_types::topology_parameters_type::nmol_type = -1

Definition at line 155 of file topology_types.F.

◆ nmol_conn

integer topology_types::topology_parameters_type::nmol_conn = -1

Definition at line 155 of file topology_types.F.

◆ aa_element

logical topology_types::topology_parameters_type::aa_element = .FALSE.

Definition at line 157 of file topology_types.F.

◆ molname_generated

logical topology_types::topology_parameters_type::molname_generated = .FALSE.

Definition at line 158 of file topology_types.F.

◆ bondparm_factor

real(kind=dp) topology_types::topology_parameters_type::bondparm_factor = -1.0_dp

Definition at line 159 of file topology_types.F.

◆ create_molecules

logical topology_types::topology_parameters_type::create_molecules = .FALSE.

Definition at line 160 of file topology_types.F.

◆ reorder_atom

logical topology_types::topology_parameters_type::reorder_atom = .FALSE.

Definition at line 161 of file topology_types.F.

◆ molecules_check

logical topology_types::topology_parameters_type::molecules_check = .FALSE.

Definition at line 162 of file topology_types.F.

◆ coordinate

logical topology_types::topology_parameters_type::coordinate = .FALSE.

Definition at line 163 of file topology_types.F.

◆ use_g96_velocity

logical topology_types::topology_parameters_type::use_g96_velocity = .FALSE.

Definition at line 164 of file topology_types.F.

◆ coord_file_name

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

Definition at line 165 of file topology_types.F.

◆ conn_file_name

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

Definition at line 166 of file topology_types.F.

◆ const_atom

logical topology_types::topology_parameters_type::const_atom = .FALSE.

Definition at line 167 of file topology_types.F.

◆ const_hydr

logical topology_types::topology_parameters_type::const_hydr = .FALSE.

Definition at line 168 of file topology_types.F.

◆ const_colv

logical topology_types::topology_parameters_type::const_colv = .FALSE.

Definition at line 169 of file topology_types.F.

◆ const_33

logical topology_types::topology_parameters_type::const_33 = .FALSE.

Definition at line 170 of file topology_types.F.

◆ const_46

logical topology_types::topology_parameters_type::const_46 = .FALSE.

Definition at line 171 of file topology_types.F.

◆ const_vsite

logical topology_types::topology_parameters_type::const_vsite = .FALSE.

Definition at line 172 of file topology_types.F.

◆ charge_occup

logical topology_types::topology_parameters_type::charge_occup = .FALSE.

Definition at line 173 of file topology_types.F.

◆ charge_beta

logical topology_types::topology_parameters_type::charge_beta = .FALSE.

Definition at line 174 of file topology_types.F.

◆ charge_extended

logical topology_types::topology_parameters_type::charge_extended = .FALSE.

Definition at line 175 of file topology_types.F.

◆ para_res

logical topology_types::topology_parameters_type::para_res = .FALSE.

Definition at line 176 of file topology_types.F.

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