(git:c5411e0)
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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() |
represents a system: atoms, molecules, their pos,vel,...
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 |
Definition at line 89 of file cp_subsys_types.F.
integer cp_subsys_types::cp_subsys_type::ref_count = 1 |
Definition at line 90 of file cp_subsys_types.F.
real(kind=dp), dimension(3, 2) cp_subsys_types::cp_subsys_type::seed = -1 |
Definition at line 91 of file cp_subsys_types.F.
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.
type(particle_list_type), pointer cp_subsys_types::cp_subsys_type::particles => Null() |
Definition at line 93 of file cp_subsys_types.F.
type(particle_list_type), pointer cp_subsys_types::cp_subsys_type::shell_particles => Null() |
Definition at line 94 of file cp_subsys_types.F.
type(particle_list_type), pointer cp_subsys_types::cp_subsys_type::core_particles => Null() |
Definition at line 95 of file cp_subsys_types.F.
type(distribution_1d_type), pointer cp_subsys_types::cp_subsys_type::local_particles => Null() |
Definition at line 96 of file cp_subsys_types.F.
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.
type(molecule_list_type), pointer cp_subsys_types::cp_subsys_type::molecules => Null() |
Definition at line 99 of file cp_subsys_types.F.
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.
type(distribution_1d_type), pointer cp_subsys_types::cp_subsys_type::local_molecules => Null() |
Definition at line 101 of file cp_subsys_types.F.
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.
type(global_constraint_type), pointer cp_subsys_types::cp_subsys_type::gci => Null() |
Definition at line 105 of file cp_subsys_types.F.
type(multipole_type), pointer cp_subsys_types::cp_subsys_type::multipoles => Null() |
Definition at line 107 of file cp_subsys_types.F.
type(atprop_type), pointer cp_subsys_types::cp_subsys_type::atprop => Null() |
Definition at line 108 of file cp_subsys_types.F.
type(virial_type), pointer cp_subsys_types::cp_subsys_type::virial => Null() |
Definition at line 109 of file cp_subsys_types.F.
type(cp_result_type), pointer cp_subsys_types::cp_subsys_type::results => Null() |
Definition at line 110 of file cp_subsys_types.F.
type(cell_type), pointer cp_subsys_types::cp_subsys_type::cell => Null() |
Definition at line 111 of file cp_subsys_types.F.