Skip to content

Conversation

Albkat
Copy link
Member

@Albkat Albkat commented Aug 16, 2023

  1. instruction to saturate outer region during ONIOM calculation.
$oniom
   outer = bool

Signed-off-by: albert <92109627+Albkat@users.noreply.github.com>
@Albkat Albkat requested review from MtoLStoN and awvwgk August 16, 2023 12:21
@Albkat Albkat merged commit 3f25dfd into grimme-lab:main Aug 16, 2023
@Albkat Albkat deleted the outer_region_saturation branch August 23, 2023 10:56
gorges97 pushed a commit to gorges97/xtb that referenced this pull request Mar 27, 2024
Signed-off-by: albert <92109627+Albkat@users.noreply.github.com>
Signed-off-by: Johannes Gorges <58849467+gorges97@users.noreply.github.com>
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.

3 participants