Documentation for module qmmm_types

Basic container type for QM/MM.

source: qmmm_types.F
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public Types:

qmmm_env_type
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public Subroutines/Functions:

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releases the given qmmm_env (see doc/ReferenceCounting.html)
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public Types:

TYPE :: qmmm_env_type

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INTEGER
:: ref_count = 1 ...
POINTER :: qs_env => NULL() ...
POINTER :: fist_env => NULL() ...
POINTER :: qm => NULL() ...

SUBROUTINEqmmm_env_get(qmmm_env, subsys, potential_energy, kinetic_energy)

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Arguments:
POINTER
:: qmmm_env ...
OPTIONAL, POINTER
:: subsys ...
REAL(dp),
INTENT(out),
OPTIONAL
:: potential_energy ...
REAL(dp),
INTENT(out),
OPTIONAL
:: kinetic_energy ...

SUBROUTINEqmmm_env_release(qmmm_env)

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

Arguments:
POINTER
:: qmmm_env the object to release

SUBROUTINEqmmm_env_retain(qmmm_env)

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Arguments:
POINTER
:: qmmm_env ...