force_field_types::force_field_type Type Reference

Data Fields
logical	shift_cutoff
logical	do_nonbonded
logical	do_electrostatics
logical	electrostatics
logical	multiple_potential
logical	ignore_missing_critical
integer	ff_type
real(kind=dp)	rcut_nb
real(kind=dp)	ei_scale14
real(kind=dp)	vdw_scale14
real(kind=dp)	eps_spline
real(kind=dp)	max_energy
real(kind=dp)	emax_spline
real(kind=dp)	rlow_nb
integer	npoints
character(len=default_path_length)	ff_file_name
type(input_info_type), pointer	inp_info
type(charmm_info_type), pointer	chm_info
type(gromos_info_type), pointer	gro_info
type(amber_info_type), pointer	amb_info

Detailed Description

Definition at line 185 of file force_field_types.F.

Field Documentation

shift_cutoff

logical force_field_types::force_field_type::shift_cutoff

Definition at line 186 of file force_field_types.F.

do_nonbonded

logical force_field_types::force_field_type::do_nonbonded

Definition at line 186 of file force_field_types.F.

do_electrostatics

logical force_field_types::force_field_type::do_electrostatics

Definition at line 186 of file force_field_types.F.

electrostatics

logical force_field_types::force_field_type::electrostatics

Definition at line 186 of file force_field_types.F.

multiple_potential

logical force_field_types::force_field_type::multiple_potential

Definition at line 186 of file force_field_types.F.

ignore_missing_critical

logical force_field_types::force_field_type::ignore_missing_critical

Definition at line 186 of file force_field_types.F.

ff_type

integer force_field_types::force_field_type::ff_type

Definition at line 192 of file force_field_types.F.

rcut_nb

real(kind=dp) force_field_types::force_field_type::rcut_nb

Definition at line 193 of file force_field_types.F.

ei_scale14

real(kind=dp) force_field_types::force_field_type::ei_scale14

Definition at line 194 of file force_field_types.F.

vdw_scale14

real(kind=dp) force_field_types::force_field_type::vdw_scale14

Definition at line 195 of file force_field_types.F.

eps_spline

real(kind=dp) force_field_types::force_field_type::eps_spline

Definition at line 196 of file force_field_types.F.

max_energy

real(kind=dp) force_field_types::force_field_type::max_energy

Definition at line 196 of file force_field_types.F.

emax_spline

real(kind=dp) force_field_types::force_field_type::emax_spline

Definition at line 196 of file force_field_types.F.

rlow_nb

real(kind=dp) force_field_types::force_field_type::rlow_nb

Definition at line 196 of file force_field_types.F.

npoints

integer force_field_types::force_field_type::npoints

Definition at line 200 of file force_field_types.F.

ff_file_name

character(len=default_path_length) force_field_types::force_field_type::ff_file_name

Definition at line 201 of file force_field_types.F.

inp_info

type(input_info_type), pointer force_field_types::force_field_type::inp_info

Definition at line 202 of file force_field_types.F.

chm_info

type(charmm_info_type), pointer force_field_types::force_field_type::chm_info

Definition at line 203 of file force_field_types.F.

gro_info

type(gromos_info_type), pointer force_field_types::force_field_type::gro_info

Definition at line 204 of file force_field_types.F.

amb_info

type(amber_info_type), pointer force_field_types::force_field_type::amb_info

Definition at line 205 of file force_field_types.F.

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

• force_field_types.F