Documentation for module qmmm_create

Initialize a QM/MM calculation

source: qmmm_create.F
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public Subroutines/Functions:

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SUBROUTINEqmmm_env_create(qmmm_env, root_section, para_env, globenv, force_env_section, qmmm_section, subsys_section, use_motion_section, prev_subsys, ignore_outside_box)

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Arguments:
POINTER
:: qmmm_env ...
POINTER
:: root_section ...
POINTER
:: para_env ...
POINTER
:: globenv ...
POINTER
:: force_env_section ...
POINTER
:: qmmm_section ...
POINTER
:: subsys_section ...
LOGICAL,
INTENT(in)
:: use_motion_section ...
OPTIONAL, POINTER
:: prev_subsys ...
LOGICAL,
INTENT(in),
OPTIONAL
:: ignore_outside_box ...