Psi4 HF3c Dipole Moment¶
Solution-based/Small Molecule Lead-opt/QM Analysis
Floe to update a current dataset with a dipole moment calculated at the HF3c level. If you wish to change the property being calculated or the method and basis set please use the Psi QM Property Calculation Floe. Note - Updater Floes cannot add Vectors, if you want a dipole vector, you will need to run the Psi4 QM Property Calculation Floe and create a new dataset.
Parameter title in user interface (promoted name)
- Input Dataset (data_in) type: data_source: The dataset(s) to read records from