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Issues: cclib/cclib

Version 2.0 checklist
#1395 opened Mar 22, 2024 by berquist
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154 Open 351 Closed
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Issues list

Error Getting platform_full_version for Apple M1 Computer Gaussian regression
#1420 opened Apr 29, 2024 by kmlefran v2.0
2
Attributes as classes: program-specific extensions feature parsers
#1419 opened Apr 29, 2024 by berquist v2.0
@berquist
Attributes as classes: serialize to MOLDEN Molden
#1418 opened Apr 29, 2024 by berquist v2.0
@berquist
'atommasses' array doubled for NBO calculations Gaussian NBO regression
#1402 opened Apr 3, 2024 by TimoSommer v2.0
1
Malformed table in the docs bug docs
#1399 opened Mar 29, 2024 by Andrew-S-Rosen v2.0
@berquist
5
New parser request: Terachem feature parsers
#1397 opened Mar 23, 2024 by berquist v2.0
Version 2.0 checklist
#1395 opened Mar 22, 2024 by berquist v2.0
@berquist @shivupa @amandadumi
3
Create Guix package maintenance
#1393 opened Mar 21, 2024 by berquist v2.0
@berquist
one electron properties from psi4 feature good-first-issue Psi
#1384 opened Mar 12, 2024 by JoshRackers v2.0
Update installation instructions docs maintenance
#1380 opened Mar 11, 2024 by berquist v2.0
@berquist
Link to test coverage results in docs is broken docs maintenance
#1379 opened Mar 11, 2024 by berquist v2.0
Logging setup for parsers improvement
#1372 opened Feb 29, 2024 by oliver-s-lee v2.0
@oliver-s-lee
ORCA quadrupole moment parsing feature ORCA
#1359 opened Feb 1, 2024 by m-julian v2.0
code coverage is very slow with Python 3.12 maintenance regression
#1347 opened Jan 22, 2024 by berquist v2.0
3
Test dependencies should not be required at collection time bug tests
#1343 opened Jan 9, 2024 by berquist v2.0
@berquist
V2 Meta Issue
#1341 opened Jan 8, 2024 by shivupa v2.0
3
Feature Request: Periodic boundary conditions improvement xTB
#1324 opened Dec 19, 2023 by Andrew-S-Rosen v2.0
3
xTB: Support parsing of more auxiliary files improvement xTB
#1323 opened Dec 19, 2023 by Andrew-S-Rosen v2.0
ORCA parsing error bug ORCA
#1317 opened Dec 8, 2023 by Benlibe v2.0
1
Issue with NWChem and anlready optimized systems bug NWChem
#1314 opened Dec 6, 2023 by eduardob999 v2.0
1
Enable ruff lints and fix them maintenance
#1313 opened Dec 4, 2023 by berquist v2.0
Fixing GAMESS bug with ASSIGNED OCCUPANCIES block. bug GAMESS
#1279 opened Sep 29, 2023 by amandadumi v2.0
@amandadumi
Test CJSON against reference implementation io
#1275 opened Sep 13, 2023 by berquist v2.0
@berquist
1
Unify metadata
#1274 opened Sep 4, 2023 by shivupa v2.0
@berquist
5
Add support for parsing intermediate excited state energies feature
#1273 opened Sep 3, 2023 by oliver-s-lee v2.0
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