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PBEh-3c as unknown functional casues basis set not to be parsed (software gaussian)
bug
Something isn't working
#15
opened Jul 1, 2023 by
zarkoivkovicc
Fix the use of the basis set LANL2DZ with heavy atoms in ORCA
bug
Something isn't working
good first issue
Good for newcomers
#13
opened Jun 23, 2023 by
RaphaelRobidas
Support TD-DFT calculations in ORCA
enhancement
Improvement of existing features
#7
opened Mar 26, 2023 by
RaphaelRobidas
Support for IRC calculations
enhancement
Improvement of existing features
good first issue
Good for newcomers
#6
opened Mar 26, 2023 by
RaphaelRobidas
Add the "TSFREQ" calculation type
good first issue
Good for newcomers
#2
opened Feb 12, 2023 by
RaphaelRobidas
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