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Add option to skip 3D generation in getOBMol() CodeQL #388: Pull request #206 opened by ralf-meyer
March 7, 2024 17:55 3m 20s from_smiles
from_smiles
March 7, 2024 17:55 3m 20s
Add option to skip 3D generation in getOBMol() Pytest #59: Pull request #206 opened by ralf-meyer
March 7, 2024 17:55 12m 37s from_smiles
from_smiles
March 7, 2024 17:55 12m 37s
added new function to obtain first coordination shell while accountin… Linter #734: Pull request #205 synchronize by pre-commit-ci bot
March 6, 2024 19:13 38s first_shell
first_shell
March 6, 2024 19:13 38s
added new function to obtain first coordination shell while accountin… CodeQL #387: Pull request #205 synchronize by pre-commit-ci bot
March 6, 2024 19:13 3m 25s first_shell
first_shell
March 6, 2024 19:13 3m 25s
added new function to obtain first coordination shell while accountin… Pytest #58: Pull request #205 synchronize by pre-commit-ci bot
March 6, 2024 19:13 12m 39s first_shell
first_shell
March 6, 2024 19:13 12m 39s
added new function to obtain first coordination shell while accountin… Pytest #57: Pull request #205 opened by iliak14
March 6, 2024 19:12 12m 54s first_shell
first_shell
March 6, 2024 19:12 12m 54s
added new function to obtain first coordination shell while accountin… CodeQL #386: Pull request #205 opened by iliak14
March 6, 2024 19:12 3m 27s first_shell
first_shell
March 6, 2024 19:12 3m 27s
added new function to obtain first coordination shell while accountin… Linter #733: Pull request #205 opened by iliak14
March 6, 2024 19:12 43s first_shell
first_shell
March 6, 2024 19:12 43s
Updated naming schemes for input and jobscript files Linter #732: Pull request #198 synchronize by ralf-meyer
March 5, 2024 16:49 50s input-jobscript-naming
input-jobscript-naming
March 5, 2024 16:49 50s
Updated naming schemes for input and jobscript files Pytest #56: Pull request #198 synchronize by ralf-meyer
March 5, 2024 16:49 12m 54s input-jobscript-naming
input-jobscript-naming
March 5, 2024 16:49 12m 54s
Updated naming schemes for input and jobscript files CodeQL #385: Pull request #198 synchronize by ralf-meyer
March 5, 2024 16:49 3m 24s input-jobscript-naming
input-jobscript-naming
March 5, 2024 16:49 3m 24s
Merge pull request #204 from hjkgrp/geo_free_RACs Pytest #55: Commit 35714b8 pushed by ralf-meyer
March 3, 2024 22:25 12m 35s master
master
March 3, 2024 22:25 12m 35s
Merge pull request #204 from hjkgrp/geo_free_RACs CodeQL #384: Commit 35714b8 pushed by ralf-meyer
March 3, 2024 22:25 3m 29s master
master
March 3, 2024 22:25 3m 29s
Merge pull request #204 from hjkgrp/geo_free_RACs Linter #731: Commit 35714b8 pushed by ralf-meyer
March 3, 2024 22:25 38s master
master
March 3, 2024 22:25 38s
CodeQL CodeQL #383: Scheduled
March 2, 2024 11:59 3m 33s master
master
March 2, 2024 11:59 3m 33s
Geo free RACs Linter #730: Pull request #204 opened by ralf-meyer
February 26, 2024 22:09 34s geo_free_RACs
geo_free_RACs
February 26, 2024 22:09 34s
Geo free RACs Pytest #54: Pull request #204 opened by ralf-meyer
February 26, 2024 22:09 12m 56s geo_free_RACs
geo_free_RACs
February 26, 2024 22:09 12m 56s
Geo free RACs CodeQL #382: Pull request #204 opened by ralf-meyer
February 26, 2024 22:09 3m 34s geo_free_RACs
geo_free_RACs
February 26, 2024 22:09 3m 34s
Merge pull request #192 from hjkgrp/additional_tests Linter #729: Commit 292cc44 pushed by ralf-meyer
February 26, 2024 21:39 37s master
master
February 26, 2024 21:39 37s
Merge pull request #192 from hjkgrp/additional_tests Pytest #53: Commit 292cc44 pushed by ralf-meyer
February 26, 2024 21:39 12m 59s master
master
February 26, 2024 21:39 12m 59s
Merge pull request #192 from hjkgrp/additional_tests CodeQL #381: Commit 292cc44 pushed by ralf-meyer
February 26, 2024 21:39 4m 2s master
master
February 26, 2024 21:39 4m 2s
Additional tests Linter #728: Pull request #192 synchronize by ralf-meyer
February 26, 2024 21:26 39s additional_tests
additional_tests
February 26, 2024 21:26 39s
Additional tests CodeQL #380: Pull request #192 synchronize by ralf-meyer
February 26, 2024 21:26 3m 38s additional_tests
additional_tests
February 26, 2024 21:26 3m 38s
Additional tests Pytest #52: Pull request #192 synchronize by ralf-meyer
February 26, 2024 21:26 12m 38s additional_tests
additional_tests
February 26, 2024 21:26 12m 38s
Merge pull request #169 from hjkgrp/type-hinting Linter #727: Commit 9481fd8 pushed by ralf-meyer
February 26, 2024 21:11 40s master
master
February 26, 2024 21:11 40s
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