I tried running a density-fitting DFT calculation on a GPU with
mol.cart = True
and it crashes.
I assume that in the nascent stages, the Cartesian AOs may not have been a priority. But I would appreciate if this feature could be added in the near future if it is not so much work.
I tried running a density-fitting DFT calculation on a GPU with
mol.cart = True
and it crashes.
I assume that in the nascent stages, the Cartesian AOs may not have been a priority. But I would appreciate if this feature could be added in the near future if it is not so much work.