Documentation for module kg_energy_corrections

Routines for a Harris type energy correction on top of a Kim-Gordon calculation

source: kg_energy_corrections.F
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public Subroutines/Functions:

Energy correction to a KG simulation

SUBROUTINEkg_energy_correction(qs_env, calculate_forces)

Energy correction to a KG simulation

Arguments:
POINTER
:: qs_env ...
LOGICAL,
INTENT(in),
OPTIONAL
:: calculate_forces ...