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6 Open 14 Closed
6 Open 14 Closed
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Issues list

Several problems with ORCA UV/VIS spectrum. bug Something isn't working documentation Improvements or additions to documentation
#22 opened Nov 26, 2024 by Whility
@ajs99778
4
Wishlist: HSQC simulation based on RDKit adjacency matrix bug Something isn't working documentation Improvements or additions to documentation duplicate This issue or pull request already exists enhancement New feature or request question Further information is requested wontfix This will not be worked on
#21 opened Nov 8, 2024 by mkedwards
@ajs99778
1
NMR Spectrum / ORCA 6.x .out file peak arithmetic looks way off bug Something isn't working documentation Improvements or additions to documentation duplicate This issue or pull request already exists enhancement New feature or request question Further information is requested wontfix This will not be worked on
#20 opened Nov 7, 2024 by mkedwards
@ajs99778
11
CREST tautomerizm screening output bug Something isn't working documentation Improvements or additions to documentation duplicate This issue or pull request already exists enhancement New feature or request question Further information is requested wontfix This will not be worked on
#19 opened Oct 30, 2024 by Whility
@ajs99778
2
gui for scans enhancement New feature or request
#15 opened Oct 27, 2023 by joegair
@ajs99778
2
File tool enhancement New feature or request question Further information is requested
#14 opened Oct 26, 2023 by steto123
@ajs99778
5
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