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Remove liblapack specification CI Tests #944: Pull request #71 opened by mjohnson541
April 26, 2025 04:08 13m 14s loosen_liblapack
loosen_liblapack
April 26, 2025 04:08 13m 14s
remove liblapack specification CI Tests #943: Commit 467e473 pushed by mjohnson541
April 26, 2025 04:08 13m 9s loosen_liblapack
loosen_liblapack
April 26, 2025 04:08 13m 9s
Integration of Initial Guess Generation Into the Fireworks Workflow CI Tests #942: Pull request #70 synchronize by mjohnson541
April 26, 2025 00:51 40m 57s integrated_initial_guess
integrated_initial_guess
April 26, 2025 00:51 40m 57s
run the test example using 4 processes for harmonic optimizations CI Tests #941: Commit e7442e3 pushed by mjohnson541
April 26, 2025 00:51 41m 35s integrated_initial_guess
integrated_initial_guess
April 26, 2025 00:51 41m 35s
Integration of Initial Guess Generation Into the Fireworks Workflow CI Tests #940: Pull request #70 opened by mjohnson541
April 25, 2025 23:30 45m 22s integrated_initial_guess
integrated_initial_guess
April 25, 2025 23:30 45m 22s
adapt testMain.py to initial guess changes CI Tests #939: Commit e6e037f pushed by mjohnson541
April 25, 2025 23:23 39m 22s integrated_initial_guess
integrated_initial_guess
April 25, 2025 23:23 39m 22s
Merge pull request #68 from zadorlab/specify_hfsp_software CI Tests #938: Commit 3e6b4a2 pushed by mjohnson541
April 24, 2025 00:43 33m 10s master
master
April 24, 2025 00:43 33m 10s
pages build and deployment pages-build-deployment #38: by mjohnson541
April 24, 2025 00:43 30s master
master
April 24, 2025 00:43 30s
Merge pull request #69 from zadorlab/bidentate_adsorbate_bugfixes CI Tests #937: Commit ea1a876 pushed by mjohnson541
April 23, 2025 03:58 30m 22s master
master
April 23, 2025 03:58 30m 22s
pages build and deployment pages-build-deployment #37: by mjohnson541
April 23, 2025 03:58 25s master
master
April 23, 2025 03:58 25s
Fix Bugs in Bidentate Adsorbate Guess Generation CI Tests #936: Pull request #69 opened by mjohnson541
April 23, 2025 03:05 28m 21s bidentate_adsorbate_bugfixes
bidentate_adsorbate_bugfixes
April 23, 2025 03:05 28m 21s
bugfixes for adsorbate guess generation, particularly for bidentates CI Tests #935: Commit 9cce42a pushed by mjohnson541
April 23, 2025 03:05 31m 8s bidentate_adsorbate_bugfixes
bidentate_adsorbate_bugfixes
April 23, 2025 03:05 31m 8s
Enable Specification of Software used for Harmonic Forcing Operations CI Tests #934: Pull request #68 review_requested by mjohnson541
April 22, 2025 21:55 30m 35s specify_hfsp_software
specify_hfsp_software
April 22, 2025 21:55 30m 35s
Enable Specification of Software used for Harmonic Forcing Operations CI Tests #933: Pull request #68 synchronize by mjohnson541
April 22, 2025 21:54 30m 56s specify_hfsp_software
specify_hfsp_software
April 22, 2025 21:54 30m 56s
add test for harmonically forced optimization CI Tests #932: Commit 4b3b268 pushed by mjohnson541
April 22, 2025 21:54 30m 32s specify_hfsp_software
specify_hfsp_software
April 22, 2025 21:54 30m 32s
Enable Specification of Software used for Harmonic Forcing Operations CI Tests #931: Pull request #68 synchronize by mjohnson541
April 22, 2025 20:55 30m 23s specify_hfsp_software
specify_hfsp_software
April 22, 2025 20:55 30m 23s
add test for harmonically forced optimization CI Tests #930: Commit dd99a05 pushed by mjohnson541
April 22, 2025 20:55 29m 12s specify_hfsp_software
specify_hfsp_software
April 22, 2025 20:55 29m 12s
Enable Specification of Software used for Harmonic Forcing Operations CI Tests #929: Pull request #68 synchronize by mjohnson541
April 22, 2025 20:11 12m 14s specify_hfsp_software
specify_hfsp_software
April 22, 2025 20:11 12m 14s
handle TBLite calculator import in name_to_ase_software CI Tests #928: Commit 57fe009 pushed by mjohnson541
April 22, 2025 20:11 12m 2s specify_hfsp_software
specify_hfsp_software
April 22, 2025 20:11 12m 2s
Enable Specification of Software used for Harmonic Forcing Operations CI Tests #927: Pull request #68 synchronize by mjohnson541
April 22, 2025 19:47 12m 27s specify_hfsp_software
specify_hfsp_software
April 22, 2025 19:47 12m 27s
remove unnecessary import of HarmonicallyForcedXTB CI Tests #926: Commit b39d4a2 pushed by mjohnson541
April 22, 2025 19:47 12m 7s specify_hfsp_software
specify_hfsp_software
April 22, 2025 19:47 12m 7s
Enable Specification of Software used for Harmonic Forcing Operations CI Tests #925: Pull request #68 opened by mjohnson541
April 22, 2025 19:45 2m 42s specify_hfsp_software
specify_hfsp_software
April 22, 2025 19:45 2m 42s
rename functions to remove xtb specific names CI Tests #924: Commit 63293a2 pushed by mjohnson541
April 22, 2025 19:40 2m 46s specify_hfsp_software
specify_hfsp_software
April 22, 2025 19:40 2m 46s
Confirm reactant/product ordering doesn't matter CI Tests #923: Pull request #67 opened by mjohnson541
April 19, 2025 00:16 30m 15s check_rpordering
check_rpordering
April 19, 2025 00:16 30m 15s
check reactant/product ordering doesn't matter CI Tests #922: Commit 0ee8f89 pushed by mjohnson541
April 19, 2025 00:16 28m 52s check_rpordering
check_rpordering
April 19, 2025 00:16 28m 52s