Data Fields
character(len=default_string_length), dimension(:), pointer	charge_atm

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

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

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

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

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

integer, dimension(:), pointer	bond_kind

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

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

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

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

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

integer, dimension(:), pointer	bend_kind

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

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

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

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

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

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

real(kind=dp), dimension(:), pointer	bend_r012

real(kind=dp), dimension(:), pointer	bend_r032

real(kind=dp), dimension(:), pointer	bend_kbs12

real(kind=dp), dimension(:), pointer	bend_kbs32

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

type(legendre_data_type), dimension(:), pointer	bend_legendre

integer, dimension(:), pointer	ub_kind

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

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

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

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

real(kind=dp), dimension(:), pointer	ub_r0

integer, dimension(:), pointer	torsion_kind

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

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

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

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

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

integer, dimension(:), pointer	torsion_m

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

integer, dimension(:), pointer	impr_kind

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

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

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

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

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

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

integer, dimension(:), pointer	opbend_kind

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

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

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

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

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

real(kind=dp), dimension(:), pointer	opbend_phi0

type(pair_potential_p_type), pointer	nonbonded

type(pair_potential_p_type), pointer	nonbonded14

type(shell_p_type), dimension(:), pointer	shell_list

type(damping_info_type), dimension(:), pointer	damping_list

Detailed Description

Definition at line 38 of file force_field_types.F.

Field Documentation

◆ charge_atm

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::charge_atm

Definition at line 39 of file force_field_types.F.

◆ charge

real(kind=dp), dimension(:), pointer force_field_types::input_info_type::charge

Definition at line 40 of file force_field_types.F.

◆ apol_atm

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::apol_atm

Definition at line 41 of file force_field_types.F.

◆ apol

real(kind=dp), dimension(:), pointer force_field_types::input_info_type::apol

Definition at line 42 of file force_field_types.F.

◆ cpol_atm

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::cpol_atm

Definition at line 43 of file force_field_types.F.

◆ cpol

real(kind=dp), dimension(:), pointer force_field_types::input_info_type::cpol

Definition at line 44 of file force_field_types.F.

◆ bond_kind

integer, dimension(:), pointer force_field_types::input_info_type::bond_kind

Definition at line 45 of file force_field_types.F.

◆ bond_a

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::bond_a

Definition at line 46 of file force_field_types.F.

◆ bond_b

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::bond_b

Definition at line 47 of file force_field_types.F.

◆ bond_k

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

Definition at line 48 of file force_field_types.F.

◆ bond_r0

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

Definition at line 49 of file force_field_types.F.

◆ bond_cs

real(kind=dp), dimension(:), pointer force_field_types::input_info_type::bond_cs

Definition at line 50 of file force_field_types.F.

◆ bend_kind

integer, dimension(:), pointer force_field_types::input_info_type::bend_kind

Definition at line 51 of file force_field_types.F.

◆ bend_a

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::bend_a

Definition at line 52 of file force_field_types.F.

◆ bend_b

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::bend_b

Definition at line 53 of file force_field_types.F.

◆ bend_c

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::bend_c

Definition at line 54 of file force_field_types.F.

◆ bend_k

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

Definition at line 55 of file force_field_types.F.

◆ bend_theta0

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

Definition at line 56 of file force_field_types.F.

◆ bend_cb

real(kind=dp), dimension(:), pointer force_field_types::input_info_type::bend_cb

Definition at line 57 of file force_field_types.F.

◆ bend_r012

real(kind=dp), dimension(:), pointer force_field_types::input_info_type::bend_r012

Definition at line 58 of file force_field_types.F.

◆ bend_r032

real(kind=dp), dimension(:), pointer force_field_types::input_info_type::bend_r032

Definition at line 58 of file force_field_types.F.

◆ bend_kbs12

real(kind=dp), dimension(:), pointer force_field_types::input_info_type::bend_kbs12

Definition at line 58 of file force_field_types.F.

◆ bend_kbs32

real(kind=dp), dimension(:), pointer force_field_types::input_info_type::bend_kbs32

Definition at line 58 of file force_field_types.F.

◆ bend_kss

real(kind=dp), dimension(:), pointer force_field_types::input_info_type::bend_kss

Definition at line 58 of file force_field_types.F.

◆ bend_legendre

type(legendre_data_type), dimension(:), pointer force_field_types::input_info_type::bend_legendre

Definition at line 63 of file force_field_types.F.

◆ ub_kind

integer, dimension(:), pointer force_field_types::input_info_type::ub_kind

Definition at line 64 of file force_field_types.F.

◆ ub_a

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::ub_a

Definition at line 65 of file force_field_types.F.

◆ ub_b

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::ub_b

Definition at line 66 of file force_field_types.F.

◆ ub_c

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::ub_c

Definition at line 67 of file force_field_types.F.

◆ ub_k

real(kind=dp), dimension(:, :), pointer force_field_types::input_info_type::ub_k

Definition at line 68 of file force_field_types.F.

◆ ub_r0

real(kind=dp), dimension(:), pointer force_field_types::input_info_type::ub_r0

Definition at line 69 of file force_field_types.F.

◆ torsion_kind

integer, dimension(:), pointer force_field_types::input_info_type::torsion_kind

Definition at line 70 of file force_field_types.F.

◆ torsion_a

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::torsion_a

Definition at line 71 of file force_field_types.F.

◆ torsion_b

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::torsion_b

Definition at line 72 of file force_field_types.F.

◆ torsion_c

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::torsion_c

Definition at line 73 of file force_field_types.F.

◆ torsion_d

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::torsion_d

Definition at line 74 of file force_field_types.F.

◆ torsion_k

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

Definition at line 75 of file force_field_types.F.

◆ torsion_m

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

Definition at line 76 of file force_field_types.F.

◆ torsion_phi0

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

Definition at line 77 of file force_field_types.F.

◆ impr_kind

integer, dimension(:), pointer force_field_types::input_info_type::impr_kind

Definition at line 78 of file force_field_types.F.

◆ impr_a

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::impr_a

Definition at line 79 of file force_field_types.F.

◆ impr_b

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::impr_b

Definition at line 80 of file force_field_types.F.

◆ impr_c

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::impr_c

Definition at line 81 of file force_field_types.F.

◆ impr_d

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::impr_d

Definition at line 82 of file force_field_types.F.

◆ impr_k

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

Definition at line 83 of file force_field_types.F.

◆ impr_phi0

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

Definition at line 84 of file force_field_types.F.

◆ opbend_kind

integer, dimension(:), pointer force_field_types::input_info_type::opbend_kind

Definition at line 85 of file force_field_types.F.

◆ opbend_a

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::opbend_a

Definition at line 86 of file force_field_types.F.

◆ opbend_b

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::opbend_b

Definition at line 87 of file force_field_types.F.

◆ opbend_c

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::opbend_c

Definition at line 88 of file force_field_types.F.

◆ opbend_d

character(len=default_string_length), dimension(:), pointer force_field_types::input_info_type::opbend_d

Definition at line 89 of file force_field_types.F.

◆ opbend_k

real(kind=dp), dimension(:), pointer force_field_types::input_info_type::opbend_k

Definition at line 90 of file force_field_types.F.

◆ opbend_phi0

real(kind=dp), dimension(:), pointer force_field_types::input_info_type::opbend_phi0

Definition at line 91 of file force_field_types.F.

◆ nonbonded

type(pair_potential_p_type), pointer force_field_types::input_info_type::nonbonded

Definition at line 92 of file force_field_types.F.

◆ nonbonded14

type(pair_potential_p_type), pointer force_field_types::input_info_type::nonbonded14

Definition at line 93 of file force_field_types.F.

◆ shell_list

type(shell_p_type), dimension(:), pointer force_field_types::input_info_type::shell_list

Definition at line 94 of file force_field_types.F.

◆ damping_list

type(damping_info_type), dimension(:), pointer force_field_types::input_info_type::damping_list

Definition at line 95 of file force_field_types.F.

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

force_field_types.F

Data Fields

Detailed Description

Field Documentation

◆ charge_atm

◆ charge

◆ apol_atm

◆ apol

◆ cpol_atm

◆ cpol

◆ bond_kind

◆ bond_a

◆ bond_b

◆ bond_k

◆ bond_r0

◆ bond_cs

◆ bend_kind

◆ bend_a

◆ bend_b

◆ bend_c

◆ bend_k

◆ bend_theta0

◆ bend_cb

◆ bend_r012

◆ bend_r032

◆ bend_kbs12

◆ bend_kbs32

◆ bend_kss

◆ bend_legendre

◆ ub_kind

◆ ub_a

◆ ub_b

◆ ub_c

◆ ub_k

◆ ub_r0

◆ torsion_kind

◆ torsion_a

◆ torsion_b

◆ torsion_c

◆ torsion_d

◆ torsion_k

◆ torsion_m

◆ torsion_phi0

◆ impr_kind

◆ impr_a

◆ impr_b

◆ impr_c

◆ impr_d

◆ impr_k

◆ impr_phi0

◆ opbend_kind

◆ opbend_a

◆ opbend_b

◆ opbend_c

◆ opbend_d

◆ opbend_k

◆ opbend_phi0

◆ nonbonded

◆ nonbonded14

◆ shell_list

◆ damping_list