Documentation for module mixed_environment_types

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source: mixed_environment_types.F
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public Types:

mixed_environment_type
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public Subroutines/Functions:

Get the MIXED environment.
allocates and intitializes a mixed_env
releases the given mixed_env (see doc/ReferenceCounting.html)
retains the given mixed_env (see doc/ReferenceCounting.html)
Set the MIXED environment.

public Types:

TYPE :: mixed_environment_type

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INTEGER
:: id_nr ...
INTEGER
:: ref_count ...
TYPE(cell_type),
POINTER :: cell_ref ...
POINTER :: mixed_energy ...
POINTER :: para_env ...
POINTER :: subsys ...
POINTER :: input ...
REAL(dp),
DIMENSION(:), POINTER :: energies ...
INTEGER
:: new_group ...
INTEGER
:: ngroups ...
INTEGER,
DIMENSION(:), POINTER :: group_distribution ...
DIMENSION(:), POINTER :: sub_para_env ...
DIMENSION(:), POINTER :: sub_logger ...
REAL(dp),
POINTER, DIMENSION(:) :: val ...
DIMENSION(:), POINTER :: par ...
REAL(dp)
:: dx ...
REAL(dp)
:: lerr ...
:: coupling_function ...
LOGICAL
:: do_mixed_cdft ...
LOGICAL
:: do_mixed_et ...
LOGICAL
:: do_mixed_qmmm_cdft ...
INTEGER
:: et_freq ...
REAL(dp),
DIMENSION(:,:), POINTER :: strength ...
POINTER :: cdft_control ...
DIMENSION(:), ALLOCATABLE :: subsys_dens ...

SUBROUTINEget_mixed_env(mixed_env, atomic_kind_set, particle_set, local_particles, local_molecules, molecule_kind_set, molecule_set, cell, cell_ref, mixed_energy, para_env, sub_para_env, subsys, input, results, cdft_control)

Get the MIXED environment.

Arguments:
INTENT(in)
:: mixed_env the pointer to the mixed_env
OPTIONAL, POINTER
:: atomic_kind_set(:) ...
OPTIONAL, POINTER
:: particle_set(:) ...
OPTIONAL, POINTER
:: local_particles ...
OPTIONAL, POINTER
:: local_molecules ...
OPTIONAL, POINTER
:: molecule_kind_set(:) ...
OPTIONAL, POINTER
:: molecule_set(:) ...
TYPE(cell_type),
OPTIONAL, POINTER
:: cell ...
TYPE(cell_type),
OPTIONAL, POINTER
:: cell_ref ...
OPTIONAL, POINTER
:: mixed_energy ...
OPTIONAL, POINTER
:: para_env ...
OPTIONAL, POINTER
:: sub_para_env(:) ...
OPTIONAL, POINTER
:: subsys ...
OPTIONAL, POINTER
:: input ...
OPTIONAL, POINTER
:: results ...
OPTIONAL, POINTER
:: cdft_control ...

SUBROUTINEmixed_env_create(mixed_env, para_env)

allocates and intitializes a mixed_env

Arguments:
POINTER
:: mixed_env the object to create
POINTER
:: para_env the parallel environement for the qs_env

SUBROUTINEmixed_env_release(mixed_env)

releases the given mixed_env (see doc/ReferenceCounting.html)

Arguments:
POINTER
:: mixed_env the object to release

SUBROUTINEmixed_env_retain(mixed_env)

retains the given mixed_env (see doc/ReferenceCounting.html)

Arguments:
POINTER
:: mixed_env the object to retain

SUBROUTINEset_mixed_env(mixed_env, atomic_kind_set, particle_set, local_particles, local_molecules, molecule_kind_set, molecule_set, cell_ref, mixed_energy, subsys, input, sub_para_env, cdft_control)

Set the MIXED environment.

Arguments:
POINTER
:: mixed_env the pointer to the mixed_env
OPTIONAL, POINTER
:: atomic_kind_set(:) ...
OPTIONAL, POINTER
:: particle_set(:) ...
OPTIONAL, POINTER
:: local_particles ...
OPTIONAL, POINTER
:: local_molecules ...
OPTIONAL, POINTER
:: molecule_kind_set(:) ...
OPTIONAL, POINTER
:: molecule_set(:) ...
TYPE(cell_type),
OPTIONAL, POINTER
:: cell_ref ...
OPTIONAL, POINTER
:: mixed_energy ...
OPTIONAL, POINTER
:: subsys ...
OPTIONAL, POINTER
:: input ...
OPTIONAL, POINTER
:: sub_para_env(:) ...
OPTIONAL, POINTER
:: cdft_control ...