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
Module "driver" is used in process_options() to determine if the n_body options given in the input file specify a wfn method. This module no longer exists.
functional.superfunctional_list() is used to create a list of dft methods, which is then used in the above function to check for dft methods. This function does not seem to work.
. . .
# Build list of dft functional names
#dft_methods = []
#for ssuper in functional.superfunctional_list():
# dft_methods.append(ssuper.name().lower())
## Adds HF for now as psi4 can't yet do optical rotations
#dft_methods.append('hf')
. . .
for key in options.keys():
# wfn method?
if key in driver.procedures['{}'.format(func.__name__)].keys():
processed_options['methods'].update({key:options[key]})
# dft method?
elif key in dft_methods:
processed_options['methods'].update({key:options[key]})
. . .
The text was updated successfully, but these errors were encountered:
Module "driver" is used in process_options() to determine if the n_body options given in the input file specify a wfn method. This module no longer exists.
functional.superfunctional_list() is used to create a list of dft methods, which is then used in the above function to check for dft methods. This function does not seem to work.
The text was updated successfully, but these errors were encountered: