cp_subsys_types.F File Reference

#include "../base/base_uses.f90"

Go to the source code of this file.

Data Types
type	cp_subsys_types::cp_subsys_type
	represents a system: atoms, molecules, their pos,vel,... More...
type	cp_subsys_types::cp_subsys_p_type
	represent a pointer to a subsys, to be able to create arrays of pointers More...

Modules
module	cp_subsys_types
	types that represent a subsys, i.e. a part of the system

Functions/Subroutines
subroutine, public	cp_subsys_types::cp_subsys_retain (subsys)
	retains a subsys (see doc/ReferenceCounting.html)
subroutine, public	cp_subsys_types::cp_subsys_release (subsys)
	releases a subsys (see doc/ReferenceCounting.html)
subroutine, public	cp_subsys_types::cp_subsys_set (subsys, atomic_kinds, particles, local_particles, molecules, molecule_kinds, local_molecules, para_env, colvar_p, shell_particles, core_particles, gci, multipoles, results, cell)
	sets various propreties of the subsys
subroutine, public	cp_subsys_types::cp_subsys_get (subsys, ref_count, atomic_kinds, atomic_kind_set, particles, particle_set, local_particles, molecules, molecule_set, molecule_kinds, molecule_kind_set, local_molecules, para_env, colvar_p, shell_particles, core_particles, gci, multipoles, natom, nparticle, ncore, nshell, nkind, atprop, virial, results, cell)
	returns information about various attributes of the given subsys
subroutine, public	cp_subsys_types::pack_subsys_particles (subsys, f, r, s, v, fscale, cell)
	Pack components of a subsystem particle sets into a single vector.
subroutine, public	cp_subsys_types::unpack_subsys_particles (subsys, f, r, s, v, fscale, cell)
	Unpack components of a subsystem particle sets into a single vector.