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pymatgen needs numpy v. < 2.0 Python application #65: Commit 5477c80 pushed by galjos
August 1, 2024 14:03 1m 54s dev
dev
August 1, 2024 14:03 1m 54s
BugFix: Geometry Optimizer changed to Rational (#23) Python application #64: Commit b21764a pushed by galjos
August 1, 2024 14:03 1m 58s main
main
August 1, 2024 14:03 1m 58s
BugFix: Geometry Optimizer changed to Rational Python application #63: Pull request #23 synchronize by stkroe
August 1, 2024 13:52 1m 39s dev
dev
August 1, 2024 13:52 1m 39s
pymatgen needs numpy v. < 2.0 Python application #62: Commit 5477c80 pushed by stkroe
August 1, 2024 13:52 1m 53s dev
dev
August 1, 2024 13:52 1m 53s
BugFix: Geometry Optimizer changed to Rational Python application #61: Pull request #23 opened by galjos
August 1, 2024 13:36 1m 49s dev
dev
August 1, 2024 13:36 1m 49s
bugfix: test adapted to new optimizer Python application #60: Commit 68968dc pushed by galjos
August 1, 2024 13:15 1m 43s dev
dev
August 1, 2024 13:15 1m 43s
Bugfix: Update DFTB+ calculator to use 'GeometryOptimisation' driver Python application #59: Commit d03ade4 pushed by galjos
August 1, 2024 07:58 1m 44s dev
dev
August 1, 2024 07:58 1m 44s
Update main (#22) Python application #58: Commit b2eae82 pushed by galjos
June 9, 2024 16:23 1m 48s main
main
June 9, 2024 16:23 1m 48s
Update main Python application #57: Pull request #22 synchronize by galjos
June 9, 2024 13:35 1m 39s dev
dev
June 9, 2024 13:35 1m 39s
Merge branch 'main' into dev Python application #56: Commit c0e4f93 pushed by galjos
June 9, 2024 13:35 1m 45s dev
dev
June 9, 2024 13:35 1m 45s
Update main Python application #55: Pull request #22 opened by galjos
June 8, 2024 15:12 2m 4s dev
dev
June 8, 2024 15:12 2m 4s
Feature/update_notebook (#21) Python application #54: Commit 7a4f600 pushed by galjos
June 8, 2024 15:11 1m 48s dev
dev
June 8, 2024 15:11 1m 48s
Feature/update_notebook Python application #53: Pull request #21 synchronize by galjos
June 8, 2024 15:08 1m 59s feature/update_notebook
feature/update_notebook
June 8, 2024 15:08 1m 59s
Feature/update_notebook Python application #52: Pull request #21 synchronize by galjos
June 7, 2024 12:27 1m 42s feature/update_notebook
feature/update_notebook
June 7, 2024 12:27 1m 42s
Feature/update_notebook Python application #51: Pull request #21 synchronize by galjos
June 6, 2024 08:59 1m 45s feature/update_notebook
feature/update_notebook
June 6, 2024 08:59 1m 45s
Feature/update_notebook Python application #50: Pull request #21 opened by galjos
June 6, 2024 08:57 1m 39s feature/update_notebook
feature/update_notebook
June 6, 2024 08:57 1m 39s
Merge pull request #18 from MolarVerse/dev Python application #49: Commit 8d13e04 pushed by stkroe
May 15, 2024 14:33 2m 3s main
main
May 15, 2024 14:33 2m 3s
Update main branch Python application #48: Pull request #18 opened by galjos
May 15, 2024 14:28 1m 56s dev
dev
May 15, 2024 14:28 1m 56s
added rdkit and wfl dependicies to pyproject.toml; ThermoScreening.ip… Python application #47: Commit 32f5040 pushed by stkroe
May 14, 2024 19:29 2m 1s dev
dev
May 14, 2024 19:29 2m 1s
comment last test which is testing the EeGtot because thermo changed … Python application #46: Commit 7bda3b0 pushed by stkroe
May 14, 2024 16:30 2m 0s dev
dev
May 14, 2024 16:30 2m 0s
Merged branch dev of github:stkroe/ThermoScreening into dev Python application #45: Commit 79f9410 pushed by stkroe
May 14, 2024 16:03 1m 45s dev
dev
May 14, 2024 16:03 1m 45s
chore: Remove .ipynb files from .gitignore and added example dftbplus… Python application #44: Commit 3757cc7 pushed by galjos
May 14, 2024 07:33 2m 4s dev
dev
May 14, 2024 07:33 2m 4s
Deleted pycache in tests/thermo Python application #43: Commit 6ec4681 pushed by galjos
May 14, 2024 06:56 2m 0s dev
dev
May 14, 2024 06:56 2m 0s
Merge pull request #16 from MolarVerse/feature/logging Python application #42: Commit b3745a4 pushed by stkroe
May 13, 2024 09:31 2m 0s dev
dev
May 13, 2024 09:31 2m 0s
Feature/logging Python application #41: Pull request #16 opened by 97gamjak
May 13, 2024 09:27 1m 54s feature/logging
feature/logging
May 13, 2024 09:27 1m 54s