bsse.F File Reference

#include "./base/base_uses.f90"

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Modules
module	bsse
	Module to perform a counterpoise correction (BSSE)

Functions/Subroutines
subroutine, public	bsse::do_bsse_calculation (force_env, globenv)
	Perform an COUNTERPOISE CORRECTION (BSSE) For a 2-body system the correction scheme can be represented as: More...