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Merge pull request #165 from mat3ra/feature/SOF-8005 Continuous Testing and Publication from 'main' #360: Commit 373763d pushed by VsevolodX
3m 15s main
main
3m 15s
chore: update test_nwchem_txt_parser.py Continuous Testing and Publication from 'main' #359: Commit 73c339c pushed by timurbazhirov
2m 2s feature/SOF-8005
feature/SOF-8005
2m 2s
SOF-8005: compress the diff, keeping docstrings and true-to-output fi… Continuous Testing and Publication from 'main' #358: Commit 43bf26f pushed by VsevolodX
2m 1s feature/SOF-8005
feature/SOF-8005
2m 1s
SOF-8005: revert formatter churn on files outside the ticket Continuous Testing and Publication from 'main' #357: Commit 04f4d7d pushed by VsevolodX
1m 58s feature/SOF-8005
feature/SOF-8005
1m 58s
SOF-8005: name the box_molecule arguments apart, say why there is no … Continuous Testing and Publication from 'main' #356: Commit 9e8d463 pushed by VsevolodX
2m 9s feature/SOF-8005
feature/SOF-8005
2m 9s
SOF-8005: make the a.u. conversion checkable, not assertable Continuous Testing and Publication from 'main' #355: Commit a488316 pushed by VsevolodX
2m 3s feature/SOF-8005
feature/SOF-8005
2m 3s
SOF-8005: drop comments that restate the code Continuous Testing and Publication from 'main' #354: Commit 180de7a pushed by VsevolodX
1m 54s feature/SOF-8005
feature/SOF-8005
1m 54s
SOF-8005: refuse geometry blocks that disagree on their atoms Continuous Testing and Publication from 'main' #353: Commit 7d0fa83 pushed by VsevolodX
2m 2s feature/SOF-8005
feature/SOF-8005
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SOF-8005: extract the geometry block with one composed regex Continuous Testing and Publication from 'main' #352: Commit 68c0c0d pushed by VsevolodX
2m 4s feature/SOF-8005
feature/SOF-8005
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SOF-8005: size the shared cell to fit both structures Continuous Testing and Publication from 'main' #351: Commit 82d22a5 pushed by VsevolodX
2m 9s feature/SOF-8005
feature/SOF-8005
2m 9s
SOF-8005: one cell for both NWChem structures Continuous Testing and Publication from 'main' #350: Commit e6d25c4 pushed by VsevolodX
2m 4s feature/SOF-8005
feature/SOF-8005
2m 4s
SOF-8005: parse NWChem geometry, and return it as a molecule Continuous Testing and Publication from 'main' #349: Commit 2a42ffd pushed by VsevolodX
1m 52s feature/SOF-8005
feature/SOF-8005
1m 52s
SOF-8005: parse NWChem initial and final geometry Continuous Testing and Publication from 'main' #348: Commit a7dd652 pushed by VsevolodX
1m 46s feature/SOF-8005
feature/SOF-8005
1m 46s
Merge pull request #163 from mat3ra/feature/SOF-7959 Continuous Testing and Publication from 'main' #347: Commit 64a1fa7 pushed by VsevolodX
3m 8s main
main
3m 8s
update: move fortran float Continuous Testing and Publication from 'main' #346: Commit 634e2a8 pushed by VsevolodX
1m 53s feature/SOF-7959
feature/SOF-7959
1m 53s
update: read orbital eigenvalues of spin-polarized runs Continuous Testing and Publication from 'main' #345: Commit c94f3f8 pushed by VsevolodX
1m 52s feature/SOF-7959
feature/SOF-7959
1m 52s
Running Copilot cloud agent Copilot cloud agent #1: by Copilot AI
15m 55s copilot/build-full-model-container
copilot/build-full-model-container
15m 55s
update: optimize (opus 5) Continuous Testing and Publication from 'main' #343: Commit 162f111 pushed by VsevolodX
1m 54s feature/SOF-7959
feature/SOF-7959
1m 54s
Merge pull request #162 from mat3ra/feature/SOF-7917 Continuous Testing and Publication from 'main' #342: Commit d326f12 pushed by VsevolodX
3m 6s main
main
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chore: eV Continuous Testing and Publication from 'main' #341: Commit efe9451 pushed by VsevolodX
2m 16s feature/SOF-7917
feature/SOF-7917
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update: read homo/lumo from converged values Continuous Testing and Publication from 'main' #340: Commit cdb1379 pushed by VsevolodX
2m 11s feature/SOF-7959
feature/SOF-7959
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feat: defect energy Continuous Testing and Publication from 'main' #339: Commit 010e2ca pushed by VsevolodX
1m 33s feature/SOF-7917
feature/SOF-7917
1m 33s
Merge pull request #161 from mat3ra/feature/SOF-7954 Continuous Testing and Publication from 'main' #338: Commit cccdf0e pushed by VsevolodX
3m 5s main
main
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update: interfacial energy Continuous Testing and Publication from 'main' #337: Commit 6f30571 pushed by VsevolodX
2m 1s feature/SOF-7954
feature/SOF-7954
2m 1s
Graph Update: pip in /. #1447378859 Dependency Graph #4: by dependabot Bot
41s main
main
41s