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Remove constraints before comparison
CI Tests #401: Commit 2ac9f4e pushed by tdprice-858
March 15, 2024 19:18 10m 51s constraints_for_comparison
March 15, 2024 19:18 10m 51s
Merge pull request #37 from zadorlab/gas_vib_fix
CI Tests #399: Commit 70ec637 pushed by mjohnson541
March 15, 2024 18:10 10m 55s master
March 15, 2024 18:10 10m 55s
pages build and deployment
pages-build-deployment #19: by mjohnson541
March 15, 2024 18:10 26s master
March 15, 2024 18:10 26s
delete acat_tol and emt_metal
CI Tests #398: Commit a75f684 pushed by sakim8048
March 6, 2024 23:38 9m 37s polaris-restart-fw
March 6, 2024 23:38 9m 37s
Trevor's constrain issue command added
CI Tests #396: Commit c234d10 pushed by sakim8048
March 4, 2024 07:01 11m 4s polaris-restart-fw
March 4, 2024 07:01 11m 4s
Try forcing xtb to be 6.4.1
CI Tests #395: Pull request #39 opened by mjohnson541
March 1, 2024 19:35 10m 51s mjohnson541-patch-1
March 1, 2024 19:35 10m 51s
Try forcing xtb to be 6.4.1
CI Tests #394: Commit 22a46e0 pushed by mjohnson541
March 1, 2024 19:35 10m 57s mjohnson541-patch-1
March 1, 2024 19:35 10m 57s
Fix bug with vibrational calculations for gas phase species
CI Tests #393: Pull request #37 opened by mjohnson541
February 15, 2024 18:21 10m 45s gas_vib_fix
February 15, 2024 18:21 10m 45s
ensure vib calculations for gas phase species do not specify indices
CI Tests #392: Commit 9852eb1 pushed by mjohnson541
February 15, 2024 18:20 10m 42s gas_vib_fix
February 15, 2024 18:20 10m 42s
Merge pull request #35 from zadorlab/offset_ads
CI Tests #391: Commit 59c0e6a pushed by mjohnson541
January 12, 2024 18:22 27m 24s master
January 12, 2024 18:22 27m 24s
pages build and deployment with artifacts-next
pages-build-deployment #18: by mjohnson541
January 12, 2024 18:22 32s master
January 12, 2024 18:22 32s
fix bug
CI Tests #389: Commit 9e51fd2 pushed by mjohnson541
December 14, 2023 23:13 25m 15s handle_multi_lattice_constant_opt
December 14, 2023 23:13 25m 15s
fix bug
CI Tests #388: Commit 6dcaff0 pushed by mjohnson541
December 14, 2023 22:57 20m 54s handle_multi_lattice_constant_opt
December 14, 2023 22:57 20m 54s
fix bug
CI Tests #387: Commit 58fb24d pushed by mjohnson541
December 14, 2023 22:52 21m 8s handle_multi_lattice_constant_opt
December 14, 2023 22:52 21m 8s
fix bug
CI Tests #386: Commit 1389080 pushed by mjohnson541
December 13, 2023 20:48 21m 12s handle_multi_lattice_constant_opt
December 13, 2023 20:48 21m 12s
add interpolation procedure
CI Tests #385: Commit a1a7399 pushed by mjohnson541
December 13, 2023 00:34 24m 44s handle_multi_lattice_constant_opt
December 13, 2023 00:34 24m 44s
Update README.md
CI Tests #384: Commit afa566a pushed by juditzador
December 12, 2023 00:37 26m 19s master
December 12, 2023 00:37 26m 19s
pages build and deployment
pages-build-deployment #17: by juditzador
December 12, 2023 00:37 37s master
December 12, 2023 00:37 37s
add random offset (contributed by tdprice-858)
CI Tests #383: Commit f731ba7 pushed by mjohnson541
December 8, 2023 18:50 29m 53s polaris-restart-fw
December 8, 2023 18:50 29m 53s
tweaks
CI Tests #382: Commit 5622859 pushed by mjohnson541
December 7, 2023 23:18 24m 5s handle_multi_lattice_constant_opt
December 7, 2023 23:18 24m 5s
tweak
CI Tests #381: Commit 57d5a6d pushed by mjohnson541
December 7, 2023 18:52 26m 40s handle_multi_lattice_constant_opt
December 7, 2023 18:52 26m 40s
adjust
CI Tests #380: Commit 9d925d1 pushed by mjohnson541
December 7, 2023 02:50 27m 27s handle_multi_lattice_constant_opt
December 7, 2023 02:50 27m 27s
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