Adds an example spin adapted UMP2 code to psi4numpy. I ran into a few glitches learning how to spin adapt MP2 and CCSD, and would have liked to have a reference code to compare notes against. So, this PR is intended to fill that gap.
What are your new additions? Please provide a brief list.
New Features
[x] New spin adapted UMP2 code example.
Changes
[x] Add UMP2_Spin_Adapted.py
Questions
I'm not sure if the style is up to snuff, so I'll change anything that is noted.
Description
Adds an example spin adapted UMP2 code to psi4numpy. I ran into a few glitches learning how to spin adapt MP2 and CCSD, and would have liked to have a reference code to compare notes against. So, this PR is intended to fill that gap.
What are your new additions? Please provide a brief list.
New Features
Changes
Questions I'm not sure if the style is up to snuff, so I'll change anything that is noted.