Skip to content

Rosa Bulo (REB) SCMSUITE-- SO107: Bugfix. Could only read single forc…#410

Merged
rebadam merged 3 commits into
trunkfrom
RosaBulo/multiple_patches
Jun 24, 2026
Merged

Rosa Bulo (REB) SCMSUITE-- SO107: Bugfix. Could only read single forc…#410
rebadam merged 3 commits into
trunkfrom
RosaBulo/multiple_patches

Conversation

@rebadam

@rebadam rebadam commented Jun 23, 2026

Copy link
Copy Markdown
Contributor

…efieldpatch from RKF before

  • An RKF can hold multiple AMBER forcefield patches, which are all needed to accurately run a calculation. Data extraction from RKF by PLAMS only extracted a single patch. This resulted in a bug in the atomtyping tool.

rebadam added 2 commits June 23, 2026 18:57
…efieldpatch from RKF before

- An RKF can hold multiple AMBER forcefield patches, which are all needed to accurately run a calculation
  Data extraction from RKF by PLAMS only extracted a single patch. This resulted in a bug in the atomtyping tool.
@dormrod dormrod force-pushed the RosaBulo/multiple_patches branch from a6e5e6f to ba9f218 Compare June 24, 2026 13:20
@dormrod dormrod force-pushed the RosaBulo/multiple_patches branch from ba9f218 to 7822a4c Compare June 24, 2026 13:40
@rebadam rebadam merged commit b352623 into trunk Jun 24, 2026
21 checks passed
@rebadam rebadam deleted the RosaBulo/multiple_patches branch June 24, 2026 15:52
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.

2 participants