molecule_kind_types::molecule_kind_type Struct Reference

Collaboration diagram for molecule_kind_types::molecule_kind_type:

List of all members.

Private Attributes
TYPE(atom_type), dimension(:), pointer	atom_list
TYPE(bond_kind_type), dimension(:), pointer	bond_kind_set
TYPE(bond_type), dimension(:), pointer	bond_list
TYPE(bend_kind_type), dimension(:), pointer	bend_kind_set
TYPE(bend_type), dimension(:), pointer	bend_list
TYPE(ub_kind_type), dimension(:), pointer	ub_kind_set
TYPE(ub_type), dimension(:), pointer	ub_list
TYPE(torsion_kind_type), dimension(:), pointer	torsion_kind_set
TYPE(torsion_type), dimension(:), pointer	torsion_list
TYPE(impr_kind_type), dimension(:), pointer	impr_kind_set
TYPE(impr_type), dimension(:), pointer	impr_list
TYPE(opbend_kind_type), dimension(:), pointer	opbend_kind_set
TYPE(opbend_type), dimension(:), pointer	opbend_list
TYPE(colvar_constraint_type), dimension(:), pointer	colv_list
TYPE(g3x3_constraint_type), dimension(:), pointer	g3x3_list
TYPE(g4x6_constraint_type), dimension(:), pointer	g4x6_list
TYPE(vsite_constraint_type), dimension(:), pointer	vsite_list
TYPE(fixd_constraint_type), dimension(:), pointer	fixd_list
TYPE(shell_type), dimension(:), pointer	shell_list
CHARACTER(LEN=default_string_length)	name
REAL(KIND=dp)	charge
REAL(KIND=dp)	mass
INTEGER	kind_number
INTEGER	natom
INTEGER	nbond
INTEGER	nbend
INTEGER	nimpr
INTEGER	nopbend
INTEGER	ntorsion
INTEGER	nub
INTEGER	ng3x3
INTEGER	ng3x3_restraint
INTEGER	ng4x6
INTEGER	ng4x6_restraint
INTEGER	nvsite
INTEGER	nvsite_restraint
INTEGER	nfixd
INTEGER	nfixd_restraint
INTEGER	nmolecule
INTEGER	nshell
TYPE(colvar_counters)	ncolv
INTEGER	nsgf
INTEGER	nelectron
INTEGER, dimension(:), pointer	molecule_list
LOGICAL	molname_generated

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Detailed Description

Definition at line 166 of file molecule_kind_types.f90.

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Member Data Documentation

TYPE(atom_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::atom_list [private]

Definition at line 167 of file molecule_kind_types.f90.

TYPE(bend_kind_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::bend_kind_set [private]

Definition at line 170 of file molecule_kind_types.f90.

TYPE(bend_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::bend_list [private]

Definition at line 171 of file molecule_kind_types.f90.

TYPE(bond_kind_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::bond_kind_set [private]

Definition at line 168 of file molecule_kind_types.f90.

TYPE(bond_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::bond_list [private]

Definition at line 169 of file molecule_kind_types.f90.

REAL(KIND = dp) molecule_kind_types::molecule_kind_type::charge [private]

Definition at line 187 of file molecule_kind_types.f90.

TYPE(colvar_constraint_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::colv_list [private]

Definition at line 180 of file molecule_kind_types.f90.

TYPE(fixd_constraint_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::fixd_list [private]

Definition at line 184 of file molecule_kind_types.f90.

TYPE(g3x3_constraint_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::g3x3_list [private]

Definition at line 181 of file molecule_kind_types.f90.

TYPE(g4x6_constraint_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::g4x6_list [private]

Definition at line 182 of file molecule_kind_types.f90.

TYPE(impr_kind_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::impr_kind_set [private]

Definition at line 176 of file molecule_kind_types.f90.

TYPE(impr_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::impr_list [private]

Definition at line 177 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::kind_number [private]

Definition at line 189 of file molecule_kind_types.f90.

REAL(KIND = dp) molecule_kind_types::molecule_kind_type::mass [private]

Definition at line 187 of file molecule_kind_types.f90.

INTEGER,dimension(:),pointer molecule_kind_types::molecule_kind_type::molecule_list [private]

Definition at line 204 of file molecule_kind_types.f90.

LOGICAL molecule_kind_types::molecule_kind_type::molname_generated [private]

Definition at line 205 of file molecule_kind_types.f90.

CHARACTER(LEN=default_string_length) molecule_kind_types::molecule_kind_type::name [private]

Definition at line 186 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::natom [private]

Definition at line 189 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::nbend [private]

Definition at line 189 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::nbond [private]

Definition at line 189 of file molecule_kind_types.f90.

TYPE(colvar_counters) molecule_kind_types::molecule_kind_type::ncolv [private]

Definition at line 202 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::nelectron [private]

Definition at line 203 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::nfixd [private]

Definition at line 189 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::nfixd_restraint [private]

Definition at line 189 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::ng3x3 [private]

Definition at line 189 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::ng3x3_restraint [private]

Definition at line 189 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::ng4x6 [private]

Definition at line 189 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::ng4x6_restraint [private]

Definition at line 189 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::nimpr [private]

Definition at line 189 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::nmolecule [private]

Definition at line 189 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::nopbend [private]

Definition at line 189 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::nsgf [private]

Definition at line 203 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::nshell [private]

Definition at line 189 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::ntorsion [private]

Definition at line 189 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::nub [private]

Definition at line 189 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::nvsite [private]

Definition at line 189 of file molecule_kind_types.f90.

INTEGER molecule_kind_types::molecule_kind_type::nvsite_restraint [private]

Definition at line 189 of file molecule_kind_types.f90.

TYPE(opbend_kind_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::opbend_kind_set [private]

Definition at line 178 of file molecule_kind_types.f90.

TYPE(opbend_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::opbend_list [private]

Definition at line 179 of file molecule_kind_types.f90.

TYPE(shell_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::shell_list [private]

Definition at line 185 of file molecule_kind_types.f90.

TYPE(torsion_kind_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::torsion_kind_set [private]

Definition at line 174 of file molecule_kind_types.f90.

TYPE(torsion_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::torsion_list [private]

Definition at line 175 of file molecule_kind_types.f90.

TYPE(ub_kind_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::ub_kind_set [private]

Definition at line 172 of file molecule_kind_types.f90.

TYPE(ub_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::ub_list [private]

Definition at line 173 of file molecule_kind_types.f90.

TYPE(vsite_constraint_type),dimension(:),pointer molecule_kind_types::molecule_kind_type::vsite_list [private]

Definition at line 183 of file molecule_kind_types.f90.

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

• molecule_kind_types.f90