Documentation for module bsse

Module to perform a counterpoise correction (BSSE)

source: bsse.F
Loading...

public Subroutines/Functions:

Perform an COUNTERPOISE CORRECTION (BSSE) For a 2-body system the correction scheme can be represented as:

SUBROUTINEdo_bsse_calculation(force_env, globenv)

Perform an COUNTERPOISE CORRECTION (BSSE) For a 2-body system the correction scheme can be represented as:

Arguments:
POINTER
:: force_env ...
POINTER
:: globenv ...