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76 Open 120 Closed
76 Open 120 Closed
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Issues list

VeloxChem writer unconditionally enables Optimize General Contractions
#319 opened Sep 7, 2024 by jeffhammond
3
Number of shells generated by AutoAux function
#318 opened Aug 28, 2024 by sunqm
2
BSE has no metadata
#310 opened Jun 15, 2024 by susilehtola
2
unidecode and GPL?
#309 opened May 9, 2024 by oliver-s-lee
2
Installation Problem
#308 opened Apr 6, 2024 by ekwan
MOLPRO Basis sets with semicolons unable to read by the MOLPRO reader
#307 opened Mar 11, 2024 by stedonnelly
Implement support for spin-orbit ECPs
#306 opened Feb 27, 2024 by susilehtola
ano-pVXZ basis sets are incorrect
#304 opened Feb 5, 2024 by bennybp
2
TZVP-DKH problem for CRYSTAL
#298 opened Jan 10, 2024 by QuantumEntg
1
"SyntaxError: invalid escape sequence \s" when import v0.9.1 API as a module
#294 opened Dec 24, 2023 by chemsh
2
An error in the Lanl2DZ ECP of thallium
#291 opened Dec 8, 2023 by zorkzou
1
MINIX basis set
#290 opened Dec 7, 2023 by corinwagen
Syncing basis sets to BSE webpage
#286 opened Oct 18, 2023 by TyBalduf
Error in Crystal basis set conversion
#285 opened Sep 24, 2023 by QuantumEntg
2
Unknown file format to read 'json'
#284 opened Sep 18, 2023 by RodrigoAVargasHdz
Format of basis set references
#283 opened Aug 4, 2023 by bingao
read_formatted_basis_file Error
#281 opened Aug 2, 2023 by stedonnelly
1
pecS-n basis sets
#279 opened Jul 7, 2023 by susilehtola
2 tasks
3-21SP and 4-22SP basis sets
#273 opened May 8, 2023 by susilehtola
2 tasks
Basis_Set_Conversion
#271 opened Apr 18, 2023 by sibananda6
4
Unable to convert basis set from orca format
#267 opened Jan 25, 2023 by AssoliLan
1
Convert from Hill ccRepo ok for ccRepo nwchem not for ccRepo molpro
#260 opened Oct 31, 2022 by SCamopby
Add cc-pVnZ-F12 basis sets for groups 11 and 12
#258 opened Sep 1, 2022 by JGrantHill
6-21G parameters of Neon is different from the papar data
#255 opened Aug 22, 2022 by inoueta
1
Missing parsers
#231 opened Nov 9, 2021 by susilehtola
1 of 7 tasks
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