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Issues: molsturm/molsturm

15 Open 0 Closed
15 Open 0 Closed
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Issues list

Unify conventions for parameter names enhancement
#42 opened Mar 4, 2018 by mfherbst
State-driven workflow
#41 opened Feb 19, 2018 by mfherbst
Interesting quantum-chemistry projects to interface with enhancement
#37 opened Nov 26, 2017 by mfherbst
5 tasks
Integrate molsturm into Spack enhancement submodules
#34 opened Oct 15, 2017 by mfherbst
7 tasks
Download data for tests enhancement
#30 opened Oct 9, 2017 by mfherbst
1 of 3 tasks
Fix issues suggested by clang-tidy enhancement submodules
#29 opened Oct 7, 2017 by mfherbst
4 tasks
Allow for tests to run if only catch is installed enhancement submodules
#28 opened Sep 13, 2017 by mfherbst
3 tasks
Better feature summary and overview enhancement submodules
#27 opened Sep 13, 2017 by mfherbst
3 tasks
Allow for more fine-grained selecton of the SCF solver enhancement
#26 opened Sep 12, 2017 by mfherbst
Allow molsturm to be used with bohrium enhancement
#25 opened Sep 12, 2017 by mfherbst
3 tasks
Refactor python state object enhancement
#24 opened Sep 12, 2017 by mfherbst
1 of 7 tasks
Add DFT methods enhancement
#22 opened Sep 12, 2017 by mfherbst
Plotting of MOs and density enhancement
#21 opened Sep 12, 2017 by mfherbst
2 tasks
Improve capabilities for interfacing molsturm enhancement
#20 opened Aug 8, 2017 by mfherbst
11 tasks
Coverage analysis enhancement
#12 opened Jul 17, 2017 by mfherbst
ProTip! What’s not been updated in a month: updated:<2023-02-28.