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exa-analytics / exatomic

A unified platform for theoretical and computational chemists
https://exa-analytics.github.io/exatomic
Apache License 2.0
19 stars 12 forks source link

VROA #140

Closed herbertludowieg closed 5 years ago

herbertludowieg commented 5 years ago

Is your feature request related to a problem? Please describe. I would like to implement an vibrational raman optical activity module into exatomic given by the equations in this paper J. Chem. Phys. 127, 134101 (2007); https://doi.org/10.1063/1.2768533. This would be a continuation to the VA project and linked to issue #128. Already have most of the code made up just need to polish and do some intensive tests.

herbertludowieg commented 5 years ago

Closed in the VROA PR