Calculation of IR intensities

vincent · October 31, 2018, 10:52am

Hi,

is there a way to let PSI4 compute the IR intensities?

Thank you in advance!

jmisiewicz · October 31, 2018, 11:46am

Not at present, but this feature will be added in Psi 1.3.

dasirianni · December 6, 2018, 4:43pm

You can follow the threads on pull requests here and here for updates to the status of the IR intensities code.