Documentation for module fist_environment_types

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source: fist_environment_types.F
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public Types:

fist_environment_type
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public Subroutines/Functions:

allocates and intitializes a fist_env
Purpose: Get the FIST environment.
releases the given fist_env (see doc/ReferenceCounting.html)
retains the given fist_env (see doc/ReferenceCounting.html)
Set the FIST environment.

public Types:

TYPE :: fist_environment_type

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INTEGER
:: id_nr ...
INTEGER
:: ref_count ...
LOGICAL
:: qmmm ...
LOGICAL
:: shell_model ...
LOGICAL
:: shell_model_ad ...
POINTER :: qmmm_env ...
TYPE(cell_type),
POINTER :: cell_ref ...
POINTER :: ewald_env ...
POINTER :: ewald_pw ...
POINTER :: thermo ...
POINTER :: para_env ...
POINTER :: subsys ...
POINTER :: fist_nonbond_env ...
POINTER :: input ...
DIMENSION(:), POINTER :: exclusions ...
POINTER :: efield ...

SUBROUTINEfist_env_create(fist_env, para_env)

allocates and intitializes a fist_env

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

SUBROUTINEfist_env_get(fist_env, atomic_kind_set, particle_set, ewald_pw, local_particles, local_molecules, molecule_kind_set, molecule_set, cell, cell_ref, ewald_env, fist_nonbond_env, thermo, para_env, subsys, qmmm, qmmm_env, input, shell_model, shell_model_ad, shell_particle_set, core_particle_set, multipoles, results, exclusions, efield)

Purpose: Get the FIST environment.

Arguments:
INTENT(in)
:: fist_env the pointer to the fist_env
OPTIONAL, POINTER
:: atomic_kind_set(:) ...
OPTIONAL, POINTER
:: particle_set(:) ...
OPTIONAL, POINTER
:: ewald_pw ...
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
:: ewald_env ...
OPTIONAL, POINTER
:: fist_nonbond_env ...
OPTIONAL, POINTER
:: thermo ...
OPTIONAL, POINTER
:: para_env ...
OPTIONAL, POINTER
:: subsys ...
LOGICAL,
OPTIONAL
:: qmmm ...
OPTIONAL, POINTER
:: qmmm_env ...
OPTIONAL, POINTER
:: input ...
LOGICAL,
OPTIONAL
:: shell_model ...
LOGICAL,
OPTIONAL
:: shell_model_ad ...
OPTIONAL, POINTER
:: shell_particle_set(:) ...
OPTIONAL, POINTER
:: core_particle_set(:) ...
OPTIONAL, POINTER
:: multipoles ...
OPTIONAL, POINTER
:: results ...
OPTIONAL, POINTER
:: exclusions(:) ...
OPTIONAL, POINTER
:: efield ...

SUBROUTINEfist_env_release(fist_env)

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

Arguments:
POINTER
:: fist_env the object to release

SUBROUTINEfist_env_retain(fist_env)

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

Arguments:
POINTER
:: fist_env the object to retain

SUBROUTINEfist_env_set(fist_env, atomic_kind_set, particle_set, ewald_pw, local_particles, local_molecules, molecule_kind_set, molecule_set, cell_ref, ewald_env, fist_nonbond_env, thermo, subsys, qmmm, qmmm_env, input, shell_model, shell_model_ad, exclusions, efield)

Set the FIST environment.

Arguments:
POINTER
:: fist_env the pointer to the fist_env
OPTIONAL, POINTER
:: atomic_kind_set(:) ...
OPTIONAL, POINTER
:: particle_set(:) ...
OPTIONAL, POINTER
:: ewald_pw ...
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
:: ewald_env ...
OPTIONAL, POINTER
:: fist_nonbond_env ...
OPTIONAL, POINTER
:: thermo ...
OPTIONAL, POINTER
:: subsys ...
LOGICAL,
OPTIONAL
:: qmmm ...
OPTIONAL, POINTER
:: qmmm_env ...
OPTIONAL, POINTER
:: input ...
LOGICAL,
OPTIONAL
:: shell_model ...
LOGICAL,
OPTIONAL
:: shell_model_ad ...
OPTIONAL, POINTER
:: exclusions(:) ...
OPTIONAL, POINTER
:: efield ...