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Merge pull request #39 from molssi-seamm/dev
CodeQL #28: Commit 18227b2 pushed by seamm
July 30, 2024 14:19 2m 23s main
July 30, 2024 14:19 2m 23s
Fix: the Docker build needed updating for changes in SEAMM
CodeQL #27: Pull request #39 opened by paulsaxe
July 30, 2024 14:18 2m 20s dev
dev
July 30, 2024 14:18 2m 20s
Merge pull request #38 from molssi-seamm/dev
CodeQL #26: Commit 62929e1 pushed by seamm
July 29, 2024 23:27 2m 26s main
July 29, 2024 23:27 2m 26s
Bugfix: initial version of dftbplus.ini
CodeQL #25: Pull request #38 synchronize by paulsaxe
July 29, 2024 23:23 2m 20s dev
dev
July 29, 2024 23:23 2m 20s
Bugfix: initial version of dftbplus.ini
CodeQL #24: Pull request #38 opened by paulsaxe
July 29, 2024 23:21 2m 27s dev
dev
July 29, 2024 23:21 2m 27s
Merge pull request #37 from paulsaxe/main
CodeQL #23: Commit 15ad5a1 pushed by paulsaxe
April 24, 2024 21:50 1m 56s main
April 24, 2024 21:50 1m 56s
Finalized support for Docker.
CodeQL #22: Pull request #37 synchronize by paulsaxe
April 24, 2024 21:46 1m 57s paulsaxe:main
April 24, 2024 21:46 1m 57s
Finalized support for Docker.
CodeQL #21: Pull request #37 opened by paulsaxe
April 24, 2024 20:33 1m 54s paulsaxe:main
April 24, 2024 20:33 1m 54s
Merge pull request #36 from molssi-seamm/dev
CodeQL #20: Commit 4073d8c pushed by seamm
January 19, 2024 00:13 7m 59s main
January 19, 2024 00:13 7m 59s
Support for running in containers and writing input only.
CodeQL #19: Pull request #36 opened by paulsaxe
January 19, 2024 00:08 7m 18s dev
dev
January 19, 2024 00:08 7m 18s
Merge pull request #35 from molssi-seamm/dev
CodeQL #18: Commit 597d93e pushed by seamm
November 10, 2023 10:56 13m 47s main
November 10, 2023 10:56 13m 47s
Standard structure handling and cleaned up output
CodeQL #17: Pull request #35 opened by paulsaxe
November 10, 2023 10:41 11m 2s dev
dev
November 10, 2023 10:41 11m 2s
Merge pull request #34 from molssi-seamm/dev
CodeQL #16: Commit 4e12526 pushed by seamm
November 9, 2023 16:28 7m 52s main
November 9, 2023 16:28 7m 52s
Making the Fermi level a scalar to avoid problems.
CodeQL #15: Pull request #34 opened by paulsaxe
November 9, 2023 00:06 7m 39s dev
dev
November 9, 2023 00:06 7m 39s
Merge pull request #33 from molssi-seamm/dev
CodeQL #14: Commit 59fe727 pushed by seamm
November 8, 2023 01:17 11m 11s main
November 8, 2023 01:17 11m 11s
Added structure to orbital and density plots.
CodeQL #13: Pull request #33 opened by paulsaxe
November 8, 2023 00:23 10m 47s dev
dev
November 8, 2023 00:23 10m 47s