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Frequencies overhaul
enhancement
New feature or request
#151
by RagnarB83
was closed Feb 11, 2024
3 tasks done
Deal with Julia-integration
needs-work
Code needs improvement and testing
#67
by RagnarB83
was closed Feb 20, 2022
Knarr interface (NEB functionality)
needs-work
Code needs improvement and testing
#68
by RagnarB83
was closed May 26, 2023
MD-analyze-trajectory tools
enhancement
New feature or request
needs-work
Code needs improvement and testing
#89
by RagnarB83
was closed Feb 11, 2024
Enable OpenMM_MD with QM-only code
enhancement
New feature or request
#137
by RagnarB83
was closed Nov 2, 2021
Automatic HOMO-LUMO rotation feature
enhancement
New feature or request
#171
by RagnarB83
was closed Feb 15, 2022
ASH orcadir
enhancement
New feature or request
#193
by RagnarB83
was closed Dec 18, 2021
3 tasks done
Remove job directives from ASH orca-input if added by user.
#195
by RagnarB83
was closed Dec 12, 2021
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