friendzone.nwx2qcengine.pt2driver
Functions
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Converts a SimDE property type to a QCElemental driver type. |
Module Contents
- friendzone.nwx2qcengine.pt2driver.pt2driver(pt)
Converts a SimDE property type to a QCElemental driver type.
Within NWChemEx users pick the property to compute by specifying a property type. Within QCElemental this is done by specifying a string. This function maps SimDE property types to their corresponding QCElemental string.
- Parameters:
pt (pluginplay.PropertyType) – The property type we are converting.
- Raises:
Exception if
pt
is not a property type which has been registered with this function.