Resolve "Additional AMML properties needed for oxycat use case"
All threads resolved!
Closes #171 (closed) Closes #172 (closed) Closes #173 (closed) Closes #170 (closed)
Edited by Ivan Kondov
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- 8f5d6c8b - added vibrational energies and energy minimum to property
By ivan.kondov on 2023-08-23T12:44:59 (imported from GitLab)
mentioned in issue #170 (closed)
By ivan.kondov on 2023-08-23T13:22:58 (imported from GitLab)
added 1 commit
- c393bfd5 - added explicit keywords structure, calculator in AMML property
By ivan.kondov on 2023-08-23T13:51:51 (imported from GitLab)
- Resolved by Ivan Kondov
@an9294 please let me know if I may merge
By ivan.kondov on 2023-08-23T16:04:12 (imported from GitLab)
mentioned in issue #175 (closed)
By ivan.kondov on 2023-08-23T17:36:16 (imported from GitLab)
mentioned in commit 76b4f223
By ivan.kondov on 2023-08-24T08:22:51 (imported from GitLab)
mentioned in issue #175 (closed)
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