e3b2babc39a8850dbee0466aee2b696924e8cac5 mistakenly resulted in no GHOST
atoms being added by the Cp2kBindingEnergyWorkChain.
This commit reintroduces the GHOST atoms for the counterpoise correction
of the basis set superposition error (BSSE) and also adds a test of the
corrected value of the binding energy (which would have flagged this
issue).
fixes #75
e3b2babc39a8850dbee0466aee2b696924e8cac5 mistakenly resulted in no GHOST atoms being added by the Cp2kBindingEnergyWorkChain.
This commit reintroduces the GHOST atoms for the counterpoise correction of the basis set superposition error (BSSE) and also adds a test of the corrected value of the binding energy (which would have flagged this issue).