QMCTorch
Tutorial
Advanced Tutorial
API
Bases: CalculatorBase
CalculatorBase
Run the calculation using ADF.
Init PLAMS.
Returns a plams molecule object.
Returns a plams setting object.
Save the basis information needed to compute the AO values.
read a data from the kf file
kf (file handle) – kf file
section (str) – name of the section
name (str) – name of the property
data
np.data
Bases: CalculatorADF
CalculatorADF