Resolve "Additional AMML properties needed for oxycat use case"

Closes #171 (closed) Closes #172 (closed) Closes #173 (closed) Closes #170 (closed)

assigned to @jk7683

By ivan.kondov on 2023-08-22T17:34:18 (imported from GitLab)

requested review from @an9294

By ivan.kondov on 2023-08-23T08:51:53 (imported from GitLab)

changed the description

By ivan.kondov on 2023-08-23T08:58:22 (imported from GitLab)

changed the description

By ivan.kondov on 2023-08-23T10:30:03 (imported from GitLab)

added 1 commit

• 8f5d6c8b - added vibrational energies and energy minimum to property

Compare with previous version

By ivan.kondov on 2023-08-23T12:44:59 (imported from GitLab)

changed the description

By ivan.kondov on 2023-08-23T13:21:46 (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

Compare with previous version

By ivan.kondov on 2023-08-23T13:51:51 (imported from GitLab)

marked this merge request as ready

By ivan.kondov on 2023-08-23T16:00:01 (imported from GitLab)

@an9294 please let me know if I may merge

By ivan.kondov on 2023-08-23T16:04:12 (imported from GitLab)

resolved all threads

By ivan.kondov on 2023-08-23T17:36:15 (imported from GitLab)

mentioned in issue #175 (closed)

By ivan.kondov on 2023-08-23T17:36:16 (imported from GitLab)

resolved all threads

By rodrigo.mejia on 2023-08-23T17:39:32 (imported from GitLab)

mentioned in commit 76b4f223

By ivan.kondov on 2023-08-24T08:22:51 (imported from GitLab)

merged

@an9294, Thanks a lot!

By ivan.kondov on 2023-08-24T08:23:30 (imported from GitLab)

mentioned in issue #175 (closed)