Psi4 HF3c Dipole Moment

Category Paths

Follow one of these paths in the Orion user interface, to find the floe.

  • Solution-based/Small Molecule Lead-opt/QM Analysis

  • Task-based/Quantum Mechanics

  • Role-based/Computational Chemist

  • Product-based/Quantum Mechanics/Psi4


This floe is used 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 Psi4 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.

Titles of required parameters (promoted names)

  • Input Dataset (data_in) type: data_source: The dataset(s) to read records from