Skip to content

Wrapper for QCEngine #27

Description

@nlk36701
  • We need to integrate with QCEngine. Talking with one of their devs, this should be implemented as a QCEngine procedure (like pyoptking, pyberny, etc) that consumes QC programs and spits out forces/force constants.

Metadata

Metadata

Assignees

Labels

enhancementNew feature or request
No fields configured for Feature.

Projects

No projects

Milestone

No milestone

Relationships

None yet

Development

No branches or pull requests

Issue actions