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Issues list

2D torsion scan
#439 opened Dec 20, 2023 by xiki-tempula
ESP grid files from psi4.
#434 opened Oct 26, 2023 by bismuthadams1
openmm and pint 0.22 incompatible
#416 opened Aug 5, 2023 by loriab
7 tests fail
#377 opened Sep 30, 2022 by yurivict
Multi-step calculations with NWChem
#374 opened Jul 26, 2022 by WardLT
s-dftd3 test refs
#370 opened Jul 6, 2022 by loriab
OpenFF requires chirality centers
#360 opened May 24, 2022 by awvwgk
Xtb ignores ncores
#355 opened Mar 11, 2022 by jthorton
Separate preprocessing, MPI invocation, and post-processing for codes which use MPI tasks Documentation Unclear, incorrect, or nonexistent documentation
#336 opened Dec 20, 2021 by WardLT
List out GPUs in system configuration
#329 opened Nov 10, 2021 by WardLT
Some tests fail
#324 opened Oct 16, 2021 by yurivict
ProTip! Exclude everything labeled bug with -label:bug.