Skip to content

Conversation

@hokru
Copy link
Member

@hokru hokru commented Nov 22, 2021

Reports indicate that the in-core MemDF+wcombine algorithm is not working correctly.
This PR disables the options. MemDF does not longer turn the option on automatically and users setting the option directly will get an exception error. A note is added to the DFT manual.

Issues: #2351 #2279
Related: #2283

Status

  • Ready for review
  • Ready for merge

@hokru hokru added this to the Psi4 1.5 milestone Nov 22, 2021
Copy link
Member

@andysim andysim left a comment

Choose a reason for hiding this comment

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

Thanks for addressing this :) Hopefully I can find some time to dig into the problem during next week's hackathon

@andysim andysim merged commit 51db381 into psi4:master Nov 22, 2021
@hokru hokru mentioned this pull request Feb 8, 2022
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

4 participants