represents a system: atoms, molecules, their pos,vel,... More...

Data Fields
integer	ref_count = 1

real(kind=dp), dimension(3, 2)	seed = -1

type(atomic_kind_list_type), pointer	atomic_kinds => Null()

type(particle_list_type), pointer	particles => Null()

type(particle_list_type), pointer	shell_particles => Null()

type(particle_list_type), pointer	core_particles => Null()

type(distribution_1d_type), pointer	local_particles => Null()

type(mp_para_env_type), pointer	para_env => Null()

type(molecule_list_type), pointer	molecules => Null()

type(molecule_kind_list_type), pointer	molecule_kinds => Null()

type(distribution_1d_type), pointer	local_molecules => Null()

type(colvar_p_type), dimension(:), pointer	colvar_p => Null()

type(global_constraint_type), pointer	gci => Null()

type(multipole_type), pointer	multipoles => Null()

type(atprop_type), pointer	atprop => Null()

type(virial_type), pointer	virial => Null()

type(cp_result_type), pointer	results => Null()

type(cell_type), pointer	cell => Null()

Detailed Description

represents a system: atoms, molecules, their pos,vel,...

Parameters

atomic_kinds	list with all the kinds in the actual subsys
particles	list with the particles of the actual subsys
local_particles	the particles that are local to the actual processor
molecule_kinds	list with the molecule kinds
local_molecules	the molecule structures of the actual subsys that are local to this processor
para_env	the parallel environment of the actual subsys
shell_particles	list with the shells of the actual subsys if shell-model is used
core_particles	list with the shells of the actual subsys if shell-model is used

History: 07.2003 created [fawzi]

Author: Fawzi Mohamed

Definition at line 89 of file cp_subsys_types.F.

Field Documentation

◆ ref_count

integer cp_subsys_types::cp_subsys_type::ref_count = 1

Definition at line 90 of file cp_subsys_types.F.

◆ seed

real(kind=dp), dimension(3, 2) cp_subsys_types::cp_subsys_type::seed = -1

Definition at line 91 of file cp_subsys_types.F.

◆ atomic_kinds

type(atomic_kind_list_type), pointer cp_subsys_types::cp_subsys_type::atomic_kinds => Null()

Definition at line 92 of file cp_subsys_types.F.

◆ particles

type(particle_list_type), pointer cp_subsys_types::cp_subsys_type::particles => Null()

Definition at line 93 of file cp_subsys_types.F.

◆ shell_particles

type(particle_list_type), pointer cp_subsys_types::cp_subsys_type::shell_particles => Null()

Definition at line 94 of file cp_subsys_types.F.

◆ core_particles

type(particle_list_type), pointer cp_subsys_types::cp_subsys_type::core_particles => Null()

Definition at line 95 of file cp_subsys_types.F.

◆ local_particles

type(distribution_1d_type), pointer cp_subsys_types::cp_subsys_type::local_particles => Null()

Definition at line 96 of file cp_subsys_types.F.

◆ para_env

type(mp_para_env_type), pointer cp_subsys_types::cp_subsys_type::para_env => Null()

Definition at line 97 of file cp_subsys_types.F.

◆ molecules

type(molecule_list_type), pointer cp_subsys_types::cp_subsys_type::molecules => Null()

Definition at line 99 of file cp_subsys_types.F.

◆ molecule_kinds

type(molecule_kind_list_type), pointer cp_subsys_types::cp_subsys_type::molecule_kinds => Null()

Definition at line 100 of file cp_subsys_types.F.

◆ local_molecules

type(distribution_1d_type), pointer cp_subsys_types::cp_subsys_type::local_molecules => Null()

Definition at line 101 of file cp_subsys_types.F.

◆ colvar_p

type(colvar_p_type), dimension(:), pointer cp_subsys_types::cp_subsys_type::colvar_p => Null()

Definition at line 103 of file cp_subsys_types.F.

◆ gci

type(global_constraint_type), pointer cp_subsys_types::cp_subsys_type::gci => Null()

Definition at line 105 of file cp_subsys_types.F.

◆ multipoles

type(multipole_type), pointer cp_subsys_types::cp_subsys_type::multipoles => Null()

Definition at line 107 of file cp_subsys_types.F.

◆ atprop

type(atprop_type), pointer cp_subsys_types::cp_subsys_type::atprop => Null()

Definition at line 108 of file cp_subsys_types.F.

◆ virial

type(virial_type), pointer cp_subsys_types::cp_subsys_type::virial => Null()

Definition at line 109 of file cp_subsys_types.F.

◆ results

type(cp_result_type), pointer cp_subsys_types::cp_subsys_type::results => Null()

Definition at line 110 of file cp_subsys_types.F.

◆ cell

type(cell_type), pointer cp_subsys_types::cp_subsys_type::cell => Null()

Definition at line 111 of file cp_subsys_types.F.

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

subsys/cp_subsys_types.F

Data Fields