Skip to content

Conversation

@JonathonMisiewicz
Copy link
Contributor

Description

Ticks off an item on #2486 and #2477 by allowing "TD-DFT" to be a way to access TD-DFT psivars. As far as I'm aware, TD-DFT psivars are now as we want them.

Checklist

  • tdscf tests pass

Status

  • Ready for review
  • Ready for merge

@JonathonMisiewicz JonathonMisiewicz added api Involves the Psi4 API. How do users access "stuff"? dft For issues specific to DFT and their many functionals. labels Mar 26, 2022
@JonathonMisiewicz JonathonMisiewicz added this to the Psi4 1.6 milestone Mar 26, 2022
Copy link
Contributor

@jeffschriber jeffschriber left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

lgtm

@JonathonMisiewicz JonathonMisiewicz merged commit aa6b5da into psi4:master Mar 29, 2022
@JonathonMisiewicz JonathonMisiewicz deleted the tdscf_var branch March 29, 2022 14:44
zachglick pushed a commit to zachglick/psi4 that referenced this pull request Apr 18, 2022
zachglick pushed a commit to zachglick/psi4 that referenced this pull request Apr 18, 2022
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

api Involves the Psi4 API. How do users access "stuff"? dft For issues specific to DFT and their many functionals.

Projects

None yet

Development

Successfully merging this pull request may close these issues.

4 participants