search

psi4 / psi4numpy

Combining Psi4 and Numpy for education and development.
BSD 3-Clause "New" or "Revised" License
337 stars 157 forks source link

Add script for SAPT0 without the Single Exchange Approximation #40

Closed jwaldrop107 closed 6 years ago

dgasmith commented 6 years ago

Looks good, patch up a few things and we can get this in.

codecov-io commented 6 years ago

Codecov Report

Merging #40 into master will increase coverage by 0.21%. The diff coverage is 100%.

loriab commented 6 years ago

Go ahead and add your script (two lines, follow the pattern) to this file so it gets tested. Thanks!

jwaldrop107 commented 6 years ago

I updated the SAPT/README.md file to include the list of files, and add the new script to that list.