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CI CI #6360: Scheduled
December 31, 2024 01:05 2h 5m 27s main
main
December 31, 2024 01:05 2h 5m 27s
Update environment.yml to replace rmg::symmetry with connie::symmetry… CI #6359: Commit 35dcafa pushed by kfir4444
December 30, 2024 18:18 2h 5m 18s main
main
December 30, 2024 18:18 2h 5m 18s
Zmat params CI #6358: Pull request #780 synchronize by alongd
December 30, 2024 15:46 2h 7m 26s zmat_params
zmat_params
December 30, 2024 15:46 2h 7m 26s
Tests: add_atom_to_zmat_with_arbitrary_parameters CI #6357: Commit b180673 pushed by alongd
December 30, 2024 15:46 2h 7m 52s zmat_params
zmat_params
December 30, 2024 15:46 2h 7m 52s
Update environment.yml to replace rmg::symmetry with connie::symmetry CI #6356: Pull request #781 synchronize by calvinp0
December 30, 2024 14:20 2h 11m 54s zeus_symm
zeus_symm
December 30, 2024 14:20 2h 11m 54s
Update environment.yml to replace rmg::symmetry with connie::symmetry CI #6355: Commit 3d7de0c pushed by calvinp0
December 30, 2024 14:20 2h 5m 50s zeus_symm
zeus_symm
December 30, 2024 14:20 2h 5m 50s
Update environment.yml to replace rmg::symmetry with connie::symmetry CI #6354: Pull request #781 review_requested by calvinp0
December 30, 2024 14:20 2h 10m 51s zeus_symm
zeus_symm
December 30, 2024 14:20 2h 10m 51s
Update environment.yml to replace rmg::symmetry with connie::symmetry CI #6353: Pull request #781 opened by calvinp0
December 30, 2024 14:20 2h 5m 47s zeus_symm
zeus_symm
December 30, 2024 14:20 2h 5m 47s
Adapt parse_nd_scan_energies() to a slightly different Gaussian 2D sc… CI #6352: Commit 5518ed6 pushed by JintaoWu98
December 30, 2024 13:13 2h 8m 4s main
main
December 30, 2024 13:13 2h 8m 4s
Zmat params CI #6351: Pull request #780 review_requested by alongd
December 30, 2024 12:33 2h 9m 15s zmat_params
zmat_params
December 30, 2024 12:33 2h 9m 15s
Zmat params CI #6350: Pull request #780 opened by alongd
December 30, 2024 12:33 2h 7m 53s zmat_params
zmat_params
December 30, 2024 12:33 2h 7m 53s
Tests: add_atom_to_zmat_with_arbitrary_parameters CI #6349: Commit 1287947 pushed by alongd
December 30, 2024 12:31 2h 7m 44s zmat_params
zmat_params
December 30, 2024 12:31 2h 7m 44s
Update environment.yml to replace rmg::symmetry with connie::symmetry CI #6348: Commit 25e92bd pushed by calvinp0
December 30, 2024 12:15 2h 19m 9s zeus_symm
zeus_symm
December 30, 2024 12:15 2h 19m 9s
Fix type casting for CPU and memory parameters in crest_ts_conformer_… CI #6347: Commit cd1b0ff pushed by calvinp0
December 30, 2024 09:26 1h 57m 36s crest_debug_statement
crest_debug_statement
December 30, 2024 09:26 1h 57m 36s
Refactor memory and CPU parameter handling in crest_ts_conformer_sear… CI #6346: Commit 363cfd8 pushed by calvinp0
December 30, 2024 09:25 2h 5m 56s crest
crest
December 30, 2024 09:25 2h 5m 56s
CI CI #6345: Scheduled
December 30, 2024 01:07 2h 7m 7s main
main
December 30, 2024 01:07 2h 7m 7s
Adapt parse_nd_scan_energies() to a slightly different Gaussian 2D scan format CI #6344: Pull request #777 synchronize by alongd
December 29, 2024 10:19 2h 4m 7s 2dsfix
2dsfix
December 29, 2024 10:19 2h 4m 7s
Tests: Another format of a 2D scan CI #6343: Commit 69bf820 pushed by alongd
December 29, 2024 10:19 2h 5m 27s 2dsfix
2dsfix
December 29, 2024 10:19 2h 5m 27s
CI CI #6342: Scheduled
December 29, 2024 01:11 2h 6m 2s main
main
December 29, 2024 01:11 2h 6m 2s
Added a module for working with RMG reaction families CI #6341: Pull request #754 synchronize by alongd
December 28, 2024 19:15 2h 16m 1s reaction_families
reaction_families
December 28, 2024 19:15 2h 16m 1s
Tests: Updated H atomtype in common tests to H0 CI #6340: Commit 64a7b7e pushed by alongd
December 28, 2024 19:15 2h 16m 42s reaction_families
reaction_families
December 28, 2024 19:15 2h 16m 42s
Enhance str_to_str function to support unit conversion and improve er… CI #6339: Commit bf995ac pushed by calvinp0
December 28, 2024 07:25 2h 6m 44s crest
crest
December 28, 2024 07:25 2h 6m 44s
Refactor find_crest_executable function and add parse_version utility… CI #6338: Commit 5ec228e pushed by calvinp0
December 28, 2024 07:24 2h 7m 41s crest
crest
December 28, 2024 07:24 2h 7m 41s
Refactor hydrogen atom selection logic in get_h_abs_atoms function fo… CI #6337: Commit 2b5259e pushed by calvinp0
December 28, 2024 07:23 2h 6m 0s crest
crest
December 28, 2024 07:23 2h 6m 0s
CI CI #6336: Scheduled
December 28, 2024 01:04 2h 5m 52s main
main
December 28, 2024 01:04 2h 5m 52s