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pages build and deployment
pages-build-deployment #232: by KRiedmiller
September 30, 2024 08:16 31s
September 30, 2024 08:16 31s
feat: multi rfkmc
tests #98: Pull request #494 synchronize by KRiedmiller
September 27, 2024 12:35 7m 14s multi_kmc
September 27, 2024 12:35 7m 14s
feat: multi rfkmc
tests #97: Pull request #494 synchronize by KRiedmiller
September 27, 2024 09:01 1m 39s multi_kmc
September 27, 2024 09:01 1m 39s
fix: only check gmx version if applicable
release-please #213: Commit 0d7e96c pushed by KRiedmiller
September 27, 2024 08:59 47s main
September 27, 2024 08:59 47s
pages build and deployment
pages-build-deployment #231: by KRiedmiller
September 27, 2024 08:59 26s
September 27, 2024 08:59 26s
feat: multi rfkmc
tests #96: Pull request #494 ready_for_review by KRiedmiller
September 27, 2024 08:31 7m 7s multi_kmc
September 27, 2024 08:31 7m 7s
feat: multi rfkmc
tests #95: Pull request #494 opened by KRiedmiller
September 26, 2024 09:28 7m 9s multi_kmc
September 26, 2024 09:28 7m 9s
feat: multi rfkmc
Draft on Open #12: Pull request #494 opened by KRiedmiller
September 26, 2024 09:28 13s multi_kmc
September 26, 2024 09:28 13s
fix: search for radicals only in REACTIVE molecule
release-please #212: Commit e0cd397 pushed by KRiedmiller
September 26, 2024 09:25 39s main
September 26, 2024 09:25 39s
pages build and deployment
pages-build-deployment #230: by KRiedmiller
September 26, 2024 09:25 25s
September 26, 2024 09:25 25s
feat: norelax option to skip relax recipe steps
Draft on Open #11: Pull request #492 opened by jmbuhr
September 19, 2024 12:06 3s dry-run
September 19, 2024 12:06 3s
feat: norelax option to skip relax recipe steps
tests #94: Pull request #492 opened by jmbuhr
September 19, 2024 12:06 4s dry-run
September 19, 2024 12:06 4s
Files non check
tests #93: Pull request #491 opened by jmbuhr
September 19, 2024 07:57 3s files-non-check
September 19, 2024 07:57 3s
Files non check
Draft on Open #10: Pull request #491 opened by jmbuhr
September 19, 2024 07:57 3s files-non-check
September 19, 2024 07:57 3s
chore: clean MoleculeType init logic
release-please #211: Commit b8b0b85 pushed by KRiedmiller
September 16, 2024 14:14 30s main
September 16, 2024 14:14 30s
pages build and deployment
pages-build-deployment #229: by KRiedmiller
September 16, 2024 14:14 37s
September 16, 2024 14:14 37s
fix: search for radicals when initializing a MoleculeType
tests #92: Pull request #490 synchronize by KRiedmiller
September 16, 2024 14:13 7m 17s init_radical_search
September 16, 2024 14:13 7m 17s
chore: not scale debug log with system size. (#489)
release-please #210: Commit 5952032 pushed by KRiedmiller
September 16, 2024 13:34 27s main
September 16, 2024 13:34 27s
pages build and deployment
pages-build-deployment #228: by KRiedmiller
September 16, 2024 13:34 25s
September 16, 2024 13:34 25s
fix: search for radicals when initializing a MoleculeType
tests #91: Pull request #490 ready_for_review by KRiedmiller
September 16, 2024 13:23 7m 12s init_radical_search
September 16, 2024 13:23 7m 12s
Clean log solvent
tests #90: Pull request #489 ready_for_review by KRiedmiller
September 16, 2024 13:22 7m 17s clean_log_solvent
September 16, 2024 13:22 7m 17s
fix: search for radicals when initializing a MoleculeType
tests #89: Pull request #490 opened by KRiedmiller
September 16, 2024 13:20 7m 20s init_radical_search
September 16, 2024 13:20 7m 20s
fix: search for radicals when initializing a MoleculeType
Draft on Open #9: Pull request #490 opened by KRiedmiller
September 16, 2024 13:20 12s init_radical_search
September 16, 2024 13:20 12s
Clean log solvent
Draft on Open #8: Pull request #489 opened by KRiedmiller
September 16, 2024 12:29 13s clean_log_solvent
September 16, 2024 12:29 13s
Clean log solvent
tests #88: Pull request #489 opened by KRiedmiller
September 16, 2024 12:29 7m 19s clean_log_solvent
September 16, 2024 12:29 7m 19s