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Geometry Analysis and Coverage Dependence Part 1
CI Tests #716: Pull request #46 synchronize by mjohnson541
November 2, 2024 19:34 2m 41s cov_dep
November 2, 2024 19:34 2m 41s
select adsorbate by lowest energy including ZPE
CI Tests #715: Commit e100a5a pushed by mjohnson541
November 2, 2024 19:34 2m 48s cov_dep
November 2, 2024 19:34 2m 48s
Geometry Analysis and Coverage Dependence Part 1
CI Tests #714: Pull request #46 synchronize by mjohnson541
November 1, 2024 18:26 2m 34s cov_dep
November 1, 2024 18:26 2m 34s
tweak
CI Tests #713: Commit 95409b0 pushed by mjohnson541
November 1, 2024 18:26 2m 51s cov_dep
November 1, 2024 18:26 2m 51s
Geometry Analysis and Coverage Dependence Part 1
CI Tests #712: Pull request #46 synchronize by mjohnson541
November 1, 2024 18:11 2m 42s cov_dep
November 1, 2024 18:11 2m 42s
adjust pyyaml version
CI Tests #711: Commit a606f2f pushed by mjohnson541
November 1, 2024 18:11 2m 36s cov_dep
November 1, 2024 18:11 2m 36s
Geometry Analysis and Coverage Dependence Part 1
CI Tests #710: Pull request #46 synchronize by mjohnson541
November 1, 2024 17:59 2m 46s cov_dep
November 1, 2024 17:59 2m 46s
tweak build
CI Tests #709: Commit 38f6f27 pushed by mjohnson541
November 1, 2024 17:59 2m 46s cov_dep
November 1, 2024 17:59 2m 46s
Preprocessing notebook
CI Tests #708: Pull request #51 opened by sakim8048
October 25, 2024 17:02 3m 12s preprocessing
October 25, 2024 17:02 3m 12s
Create Preprocessing notebook
CI Tests #707: Commit 60ef60a pushed by sakim8048
October 25, 2024 16:56 3m 26s preprocessing
October 25, 2024 16:56 3m 26s
Fixed a couple small bugs
CI Tests #706: Commit 64e4ede pushed by tdprice-858
October 24, 2024 20:33 3m 11s therm_kin
October 24, 2024 20:33 3m 11s
Added line to create db
CI Tests #705: Commit 1381b68 pushed by tdprice-858
October 24, 2024 19:46 3m 9s therm_kin
October 24, 2024 19:46 3m 9s
October 24, 2024 19:42 3m 13s
Merge pull request #48 from zadorlab/sidt_bond_factor
CI Tests #703: Commit fc8b0eb pushed by tdprice-858
October 20, 2024 18:32 3m 7s therm_kin
October 20, 2024 18:32 3m 7s
Geometry Analysis and Coverage Dependence Part 1
CI Tests #702: Pull request #46 synchronize by mjohnson541
October 18, 2024 03:44 3m 0s cov_dep
October 18, 2024 03:44 3m 0s
handle failure in vibration calculations for TS
CI Tests #701: Commit c659a3d pushed by mjohnson541
October 18, 2024 03:44 21s cov_dep
October 18, 2024 03:44 21s
Geometry Analysis and Coverage Dependence Part 1
CI Tests #700: Pull request #46 synchronize by mjohnson541
October 18, 2024 03:20 3m 18s cov_dep
October 18, 2024 03:20 3m 18s
handle when geometry is available but vib file is not present
CI Tests #699: Commit 088e3e6 pushed by mjohnson541
October 18, 2024 03:20 3m 13s cov_dep
October 18, 2024 03:20 3m 13s
Geometry Analysis and Coverage Dependence Part 1
CI Tests #698: Pull request #46 synchronize by mjohnson541
October 15, 2024 21:43 18s cov_dep
October 15, 2024 21:43 18s
fix bug
CI Tests #697: Commit f5a8aa8 pushed by mjohnson541
October 15, 2024 21:43 19s cov_dep
October 15, 2024 21:43 19s
Geometry Analysis and Coverage Dependence Part 1
CI Tests #696: Pull request #46 synchronize by mjohnson541
October 15, 2024 21:37 19s cov_dep
October 15, 2024 21:37 19s
add debug asserts
CI Tests #695: Commit 0692231 pushed by mjohnson541
October 15, 2024 21:37 23s cov_dep
October 15, 2024 21:37 23s
Geometry Analysis and Coverage Dependence Part 1
CI Tests #694: Pull request #46 synchronize by mjohnson541
October 15, 2024 20:14 27s cov_dep
October 15, 2024 20:14 27s
optimize pair groups first
CI Tests #693: Commit efea275 pushed by mjohnson541
October 15, 2024 20:14 19s cov_dep
October 15, 2024 20:14 19s
Geometry Analysis and Coverage Dependence Part 1
CI Tests #692: Pull request #46 synchronize by mjohnson541
October 15, 2024 06:14 19s cov_dep
October 15, 2024 06:14 19s