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refactor representation of convergence Testing with coveralls Report #676: Commit 2bb7afc pushed by kubanmar
32s warnings_and_errors
warnings_and_errors
32s
minor docstring modifications Testing with coveralls Report #675: Commit c805bb5 pushed by EBB2675
40s sprint-dft-qchem
sprint-dft-qchem
40s
fix mypy error Testing with coveralls Report #674: Commit a8e716e pushed by EBB2675
46s sprint-dft-qchem
sprint-dft-qchem
46s
finalize LibXC integration Testing with coveralls Report #673: Commit 73a707d pushed by EBB2675
44s sprint-dft-qchem
sprint-dft-qchem
44s
Make labels private Testing with coveralls Report #672: Commit be95dec pushed by ladinesa
40s add-workflow-tests
add-workflow-tests
40s
update relativity, change XCSet to XCFunctional Testing with coveralls Report #671: Commit bafa1bf pushed by EBB2675
42s sprint-dft-qchem
sprint-dft-qchem
42s
modify dispersion Testing with coveralls Report #670: Commit c5c792e pushed by EBB2675
40s sprint-dft-qchem
sprint-dft-qchem
40s
Add molecular dynamics test Testing with coveralls Report #669: Commit 9e8580b pushed by ladinesa
41s add-workflow-tests
add-workflow-tests
41s
better description for the effective born radii Testing with coveralls Report #668: Commit 3edb790 pushed by EBB2675
42s sprint-dft-qchem
sprint-dft-qchem
42s
improve ImplicitSolvationModel according to molecular dynamics Testing with coveralls Report #667: Commit 45556ca pushed by EBB2675
54s sprint-dft-qchem
sprint-dft-qchem
54s
Add geometry optimization test Testing with coveralls Report #666: Commit baca36b pushed by ladinesa
45s add-workflow-tests
add-workflow-tests
45s
an awesome dispersion implementation, Denis + EBB Testing with coveralls Report #665: Commit dff72e6 pushed by EBB2675
39s sprint-dft-qchem
sprint-dft-qchem
39s
a new way for LibXC integration Testing with coveralls Report #664: Commit fea8c63 pushed by EBB2675
39s sprint-dft-qchem
sprint-dft-qchem
39s
re-implemented isinstance() preference check in is_root() (#255) Testing with coveralls Report #663: Commit 133d20c pushed by JFRudzinski
41s develop
develop
41s
General workflow tests Testing with coveralls Report #662: Commit a3f7c56 pushed by ladinesa
39s add-workflow-tests
add-workflow-tests
39s
re-implemented isinstance() preference check in is_root() Testing with coveralls Report #661: Commit c6b8260 pushed by JFRudzinski
41s fix-h5md-test
fix-h5md-test
41s
a new way for LibXC integration Testing with coveralls Report #660: Commit 258b00e pushed by EBB2675
41s sprint-dft-qchem
sprint-dft-qchem
41s
remove xc_registry.py Testing with coveralls Report #659: Commit 889f0de pushed by EBB2675
41s sprint-dft-qchem
sprint-dft-qchem
41s
libxc registry and related utils, TestDFT Testing with coveralls Report #658: Commit 1778bd1 pushed by EBB2675
40s sprint-dft-qchem
sprint-dft-qchem
40s
restructure DFT Testing with coveralls Report #657: Commit 3b29013 pushed by EBB2675
42s sprint-dft-qchem
sprint-dft-qchem
42s
add relativity, solvation and dispersion to ModelMethodElectronic Testing with coveralls Report #656: Commit 8a21110 pushed by EBB2675
44s sprint-dft-qchem
sprint-dft-qchem
44s
add LibXC based xc registry to schema utils for 679 functionals Testing with coveralls Report #655: Commit 222b3c0 pushed by EBB2675
42s sprint-dft-qchem
sprint-dft-qchem
42s
Fix typo in DFTTBDMFTWorkflow (#254) Testing with coveralls Report #654: Commit 9dd9c25 pushed by ndaelman-hu
47s develop
develop
47s
Apply ruff Testing with coveralls Report #653: Commit c50b018 pushed by ndaelman-hu
49s quick_fix_workflow
quick_fix_workflow
49s
Fix lingering mypy erroir Testing with coveralls Report #652: Commit 28beccc pushed by ndaelman-hu
42s quick_fix_workflow
quick_fix_workflow
42s