Data Fields
integer	ff_gromos_type

real(kind=dp), dimension(:), pointer	solvent_k

real(kind=dp), dimension(:), pointer	solvent_r0

real(kind=dp), dimension(:), pointer	bond_k

real(kind=dp), dimension(:), pointer	bond_r0

real(kind=dp), dimension(:), pointer	bend_k

real(kind=dp), dimension(:), pointer	bend_theta0

real(kind=dp), dimension(:), pointer	torsion_k

integer, dimension(:), pointer	torsion_m

real(kind=dp), dimension(:), pointer	torsion_phi0

real(kind=dp), dimension(:), pointer	impr_k

real(kind=dp), dimension(:), pointer	impr_phi0

character(len=default_string_length), dimension(:), pointer	nonbond_a

real(kind=dp), dimension(:, :), pointer	nonbond_c6

real(kind=dp), dimension(:, :), pointer	nonbond_c12

character(len=default_string_length), dimension(:), pointer	nonbond_a_14

real(kind=dp), dimension(:, :), pointer	nonbond_c6_14

real(kind=dp), dimension(:, :), pointer	nonbond_c12_14

Detailed Description

Definition at line 163 of file force_field_types.F.

Field Documentation

◆ ff_gromos_type

integer force_field_types::gromos_info_type::ff_gromos_type

Definition at line 164 of file force_field_types.F.

◆ solvent_k

real(kind=dp), dimension(:), pointer force_field_types::gromos_info_type::solvent_k

Definition at line 165 of file force_field_types.F.

◆ solvent_r0

real(kind=dp), dimension(:), pointer force_field_types::gromos_info_type::solvent_r0

Definition at line 166 of file force_field_types.F.

◆ bond_k

real(kind=dp), dimension(:), pointer force_field_types::gromos_info_type::bond_k

Definition at line 167 of file force_field_types.F.

◆ bond_r0

real(kind=dp), dimension(:), pointer force_field_types::gromos_info_type::bond_r0

Definition at line 168 of file force_field_types.F.

◆ bend_k

real(kind=dp), dimension(:), pointer force_field_types::gromos_info_type::bend_k

Definition at line 169 of file force_field_types.F.

◆ bend_theta0

real(kind=dp), dimension(:), pointer force_field_types::gromos_info_type::bend_theta0

Definition at line 170 of file force_field_types.F.

◆ torsion_k

real(kind=dp), dimension(:), pointer force_field_types::gromos_info_type::torsion_k

Definition at line 171 of file force_field_types.F.

◆ torsion_m

integer, dimension(:), pointer force_field_types::gromos_info_type::torsion_m

Definition at line 172 of file force_field_types.F.

◆ torsion_phi0

real(kind=dp), dimension(:), pointer force_field_types::gromos_info_type::torsion_phi0

Definition at line 173 of file force_field_types.F.

◆ impr_k

real(kind=dp), dimension(:), pointer force_field_types::gromos_info_type::impr_k

Definition at line 174 of file force_field_types.F.

◆ impr_phi0

real(kind=dp), dimension(:), pointer force_field_types::gromos_info_type::impr_phi0

Definition at line 175 of file force_field_types.F.

◆ nonbond_a

character(len=default_string_length), dimension(:), pointer force_field_types::gromos_info_type::nonbond_a

Definition at line 176 of file force_field_types.F.

◆ nonbond_c6

real(kind=dp), dimension(:, :), pointer force_field_types::gromos_info_type::nonbond_c6

Definition at line 177 of file force_field_types.F.

◆ nonbond_c12

real(kind=dp), dimension(:, :), pointer force_field_types::gromos_info_type::nonbond_c12

Definition at line 178 of file force_field_types.F.

◆ nonbond_a_14

character(len=default_string_length), dimension(:), pointer force_field_types::gromos_info_type::nonbond_a_14

Definition at line 179 of file force_field_types.F.

◆ nonbond_c6_14

real(kind=dp), dimension(:, :), pointer force_field_types::gromos_info_type::nonbond_c6_14

Definition at line 180 of file force_field_types.F.

◆ nonbond_c12_14

real(kind=dp), dimension(:, :), pointer force_field_types::gromos_info_type::nonbond_c12_14

Definition at line 181 of file force_field_types.F.

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

force_field_types.F

Data Fields