You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Right now we can compute three different type of "external" potentials: linear electric field (for polarizability), harmonic (for QDO), and linear combination of GTFs (for arbitrary potentials like He-C60). In the code, we have a variable: CONTROL_instance%IS_THERE_EXTERNAL_POTENTIAL, that in the SCF module is related only to the linear combination of GTFs. I want this variable to handle the three different contributions (and maybe add a flag for each specific type)
The text was updated successfully, but these errors were encountered:
Right now we can compute three different type of "external" potentials: linear electric field (for polarizability), harmonic (for QDO), and linear combination of GTFs (for arbitrary potentials like He-C60). In the code, we have a variable: CONTROL_instance%IS_THERE_EXTERNAL_POTENTIAL, that in the SCF module is related only to the linear combination of GTFs. I want this variable to handle the three different contributions (and maybe add a flag for each specific type)
The text was updated successfully, but these errors were encountered: