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Issues list

Result --> SingleResult
#155 by loriab was closed Nov 12, 2019
14
Some elements missing in /util
#79 by ghost was closed Jul 1, 2019
13
Testing utilities Question Further information is requested
#15 by dgasmith was closed May 10, 2019
11
Sparse Molecules Feature Adds a new feature to the project
#169 by dgasmith was closed Jan 16, 2020 v0.13.0
9
Molecule masses from symbol issue
#225 by dgasmith was closed Jun 25, 2020
8
Accesing qc.models.Molecule.show()
#294 by VHchavez was closed Mar 29, 2023
7
Testing complex numbers
#77 by robertodr was closed Oct 7, 2019
1
7
Change Default Behavior of "fix_com" and "fix_orientation" Enhancement Project enhancement discussion
#336 by coltonbh was closed Apr 5, 2024
6
Tests fail
#40 by susilehtola was closed Mar 5, 2019
5
Tests don't find py3Dmol
#293 by yurivict was closed Mar 29, 2023
4
Flaky tests Bug Code execution error
#178 by dgasmith was closed Feb 5, 2020
1
4
Allow to skip test cases that download data
#83 by mbanck was closed Jul 21, 2019
4
qcelemental does not build with Python 3.12
#313 by susilehtola was closed Jul 31, 2023
3
Allow generation of Fortran include or module file from NIST codata
#256 by awvwgk was closed Mar 14, 2021
1
3
Codecov report combining Question Further information is requested Testing Testing bug or enhancement
#175 by dgasmith was closed Jan 7, 2020
3
Nglview renders molecule incorrectly
#161 by mattwelborn was closed Nov 7, 2019
1
3
Native Molecule Hashing
#154 by dgasmith was closed Nov 1, 2019
1
3
Tests not working
#38 by susilehtola was closed Mar 4, 2019
1
3
Links to changelogs in releases don't work
#319 by susilehtola was closed Aug 8, 2023
2
CI workflow only enabled for master branch?
#258 by awvwgk was closed Mar 12, 2021
1
2
INFO: no py38 Bug Code execution error
#176 by loriab was closed Jan 6, 2020
2
Feature request: add Debye to the unit registry
#135 by mattwelborn was closed Oct 23, 2019
1
2
Include Msgpack as requirement - Discussion Question Further information is requested
#112 by Lnaden was closed Nov 4, 2019
2
Bootcamp: Changeset 9 Documentation Unclear or incorrect documentation help wanted Extra attention is needed
#98 by Lnaden was closed Aug 12, 2019
1
2
dummy
#22 by loriab was closed Jan 28, 2019
2
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