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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
3m 6s
chore: eV Continuous Testing and Publication from 'main' #341: Commit efe9451 pushed by VsevolodX
2m 16s feature/SOF-7917
feature/SOF-7917
2m 16s
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
2m 11s
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
3m 5s
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
SOF-7915: refactor espresso structure parser, support for non-zero ib… Continuous Testing and Publication from 'main' #336: Commit 2a6c1a8 pushed by pranabdas
2m 50s main
main
2m 50s
use published version of parsers Continuous Testing and Publication from 'main' #335: Commit 1933ab7 pushed by pranabdas
1m 46s refactor/SOF-7915
refactor/SOF-7915
1m 46s
cache parsed lattice and basis Continuous Testing and Publication from 'main' #334: Commit de61a73 pushed by pranabdas
2m 1s refactor/SOF-7915
refactor/SOF-7915
2m 1s
fix linter Continuous Testing and Publication from 'main' #333: Commit b864353 pushed by pranabdas
1m 54s refactor/SOF-7915
refactor/SOF-7915
1m 54s
update libs Continuous Testing and Publication from 'main' #332: Commit 992f9fd pushed by pranabdas
1m 57s refactor/SOF-7915
refactor/SOF-7915
1m 57s
update deps Continuous Testing and Publication from 'main' #331: Commit 616b607 pushed by pranabdas
2m 12s refactor/SOF-7915
refactor/SOF-7915
2m 12s
remove espresso input parser from express and use parsers class Continuous Testing and Publication from 'main' #330: Commit 9f8317b pushed by pranabdas
2m 11s refactor/SOF-7915
refactor/SOF-7915
2m 11s
update parsers and made Continuous Testing and Publication from 'main' #329: Commit 2cf45a1 pushed by pranabdas
2m 15s refactor/SOF-7915
refactor/SOF-7915
2m 15s
update parsers lib Continuous Testing and Publication from 'main' #328: Commit 6980e3a pushed by pranabdas
2m 14s refactor/SOF-7915
refactor/SOF-7915
2m 14s