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Merge pull request #504 from avcopan/dev
test #25: Commit 029c77c pushed by avcopan
June 17, 2024 19:44 19m 3s dev
dev
June 17, 2024 19:44 19m 3s
Fix: Structureless Reaction objects with dummies
test #24: Pull request #504 opened by avcopan
June 17, 2024 19:25 19m 13s avcopan:dev
June 17, 2024 19:25 19m 13s
Merge pull request #503 from avcopan/dev
test #23: Commit 0824174 pushed by avcopan
June 13, 2024 17:00 17m 52s dev
dev
June 13, 2024 17:00 17m 52s
Fix: Ensure consistency between torsion axes and groups
test #22: Pull request #503 opened by avcopan
June 13, 2024 16:36 17m 44s avcopan:dev
June 13, 2024 16:36 17m 44s
Merge pull request #502 from avcopan/dev
test #21: Commit 294af8a pushed by avcopan
June 13, 2024 15:19 18m 39s dev
dev
June 13, 2024 15:19 18m 39s
Dummy atom handling + nan values in potential
test #20: Pull request #502 opened by avcopan
June 13, 2024 14:58 18m 6s avcopan:dev
June 13, 2024 14:58 18m 6s
Fix: Don't include nan values when accessing potential
test #19: Pull request #501 opened by avcopan
June 13, 2024 13:57 18m 25s avcopan:dev
June 13, 2024 13:57 18m 25s
Merge pull request #500 from avcopan/dev
test #18: Commit bac0dc7 pushed by avcopan
June 12, 2024 14:32 17m 44s dev
dev
June 12, 2024 14:32 17m 44s
Normal mode visualization + electron count
test #17: Pull request #500 opened by avcopan
June 12, 2024 13:59 18m 26s avcopan:dev
June 12, 2024 13:59 18m 26s
Merge pull request #499 from avcopan/dev
test #16: Commit d65de0c pushed by avcopan
June 11, 2024 17:14 17m 32s dev
dev
June 11, 2024 17:14 17m 32s
WIP Implementing generic scan functions
test #15: Pull request #499 opened by avcopan
June 11, 2024 16:55 18m 3s avcopan:dev
June 11, 2024 16:55 18m 3s
Merge pull request #498 from avcopan/dev
test #14: Commit dbbe895 pushed by avcopan
June 10, 2024 13:00 18m 7s dev
dev
June 10, 2024 13:00 18m 7s
WIP implementing generic scan functions
test #13: Pull request #498 opened by avcopan
June 10, 2024 12:36 17m 47s avcopan:dev
June 10, 2024 12:36 17m 47s
Merge pull request #497 from avcopan/dev
test #12: Commit d02ce63 pushed by avcopan
June 5, 2024 13:57 18m 12s dev
dev
June 5, 2024 13:57 18m 12s
Use more_itertools.pairwise for compatibility
test #11: Pull request #497 opened by avcopan
June 5, 2024 13:57 18m 4s avcopan:dev
June 5, 2024 13:57 18m 4s
Merge pull request #496 from avcopan/dev
test #10: Commit 8b72382 pushed by avcopan
June 4, 2024 21:10 17m 49s dev
dev
June 4, 2024 21:10 17m 49s
Updates version
test #9: Pull request #496 opened by avcopan
June 4, 2024 20:47 18m 6s avcopan:dev
June 4, 2024 20:47 18m 6s
Merge pull request #495 from avcopan/dev
test #8: Commit c6c6c50 pushed by avcopan
June 4, 2024 20:18 18m 5s dev
dev
June 4, 2024 20:18 18m 5s
Allow for None value during geometry embedding
test #7: Pull request #495 opened by avcopan
June 4, 2024 19:28 17m 55s avcopan:dev
June 4, 2024 19:28 17m 55s
Merge pull request #494 from avcopan/dev
test #6: Commit 980b33f pushed by avcopan
June 4, 2024 17:22 18m 0s dev
dev
June 4, 2024 17:22 18m 0s
New: Functions for interfacing to ASE
test #5: Pull request #494 opened by avcopan
June 4, 2024 17:04 18m 4s avcopan:dev
June 4, 2024 17:04 18m 4s
Merge pull request #493 from avcopan/dev
test #4: Commit 00c4b8b pushed by avcopan
June 3, 2024 15:18 17m 57s dev
dev
June 3, 2024 15:18 17m 57s
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