Documentation for module mixed_environment_utils

Util mixed_environment

source: mixed_environment_utils.F
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public Subroutines/Functions:

performs mapping of the subsystems of different force_eval
Maps forces between the different force_eval sections/environments

SUBROUTINEget_subsys_map_index(mapping_section, natom, iforce_eval, nforce_eval, map_index)

performs mapping of the subsystems of different force_eval

Arguments:
POINTER
:: mapping_section ...
INTEGER,
INTENT(in)
:: natom ...
INTEGER,
INTENT(in)
:: iforce_eval ...
INTEGER,
INTENT(in)
:: nforce_eval ...
INTEGER,
POINTER
:: map_index(:) ...

SUBROUTINEmixed_map_forces(particles_mix, virial_mix, results_mix, global_forces, virials, results, factor, iforce_eval, nforce_eval, map_index, mapping_section, overwrite)

Maps forces between the different force_eval sections/environments

Arguments:
POINTER
:: particles_mix ...
POINTER
:: virial_mix ...
POINTER
:: results_mix ...
POINTER
:: global_forces(:) ...
POINTER
:: virials(:) ...
POINTER
:: results(:) ...
REAL(dp),
INTENT(in)
:: factor ...
INTEGER,
INTENT(in)
:: iforce_eval ...
INTEGER,
INTENT(in)
:: nforce_eval ...
INTEGER,
POINTER
:: map_index(:) ...
POINTER
:: mapping_section ...
LOGICAL,
INTENT(in)
:: overwrite ...