HvD: Fixed an issue with the evaluation of the functional on the grid (as needed for the gradients for example). The issue is that xc_att_xc changes Etmp based on the Coulomb attenuation parameters. Therefore the energy  as returned from xc_att_xc should be added onto func.
HvD: Fixed an issue with the evaluation of the functional on the grid (as
needed for the gradients for example). The issue is that xc_att_xc changes
Etmp based on the Coulomb attenuation parameters. Therefore the energy 
as returned from xc_att_xc should be added onto func.





rangsimanketkaew/NWChem