Documentation for module topology_coordinate_util

Collection of subroutine needed for topology related things

source: topology_coordinate_util.F
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public Subroutines/Functions:

Take info readin from different file format and stuff it into compatible data structure in cp2k

SUBROUTINEtopology_coordinate_pack(particle_set, atomic_kind_set, molecule_kind_set, molecule_set, topology, qmmm, qmmm_env, subsys_section, force_env_section, exclusions, ignore_outside_box)

Take info readin from different file format and stuff it into compatible data structure in cp2k

Arguments:
POINTER
:: particle_set(:) ...
POINTER
:: atomic_kind_set(:) ...
POINTER
:: molecule_kind_set(:) ...
POINTER
:: molecule_set(:) ...
INTENT(inout)
:: topology ...
LOGICAL,
INTENT(in),
OPTIONAL
:: qmmm ...
OPTIONAL, POINTER
:: qmmm_env ...
POINTER
:: subsys_section ...
POINTER
:: force_env_section ...
OPTIONAL, POINTER
:: exclusions(:) ...
LOGICAL,
INTENT(in),
OPTIONAL
:: ignore_outside_box ...