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NMR chemical shift caluclations fail with ORCA and default settings
#52
opened May 3, 2024 by
PeteGierth
Part2 - optimization / optimization not converged / optimization crashed
#50
opened Jul 1, 2023 by
C-unelma
Changing Orca SCF settings for Part1 amd Part2 computations
enhancement
New feature or request
question
Further information is requested
#31
opened Jun 21, 2022 by
ankur56
Wrong charge and spin for ancopt in part 2
documentation
Improvements or additions to documentation
#29
opened May 4, 2022 by
froze-jameel
ProTip!
What’s not been updated in a month: updated:<2024-09-06.