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Fix Logging use for v1.12
CI #70: Commit e9adbe6 pushed by Liozou
May 13, 2024 16:10 14m 40s master
May 13, 2024 16:10 14m 40s
Fix Logging use for v1.12
CI #69: Commit 9ae853f pushed by Liozou
May 13, 2024 15:53 12m 1s master
May 13, 2024 15:53 12m 1s
Fix Logging use for v1.12
CI #68: Commit 52d240d pushed by Liozou
May 13, 2024 15:39 12m 0s master
May 13, 2024 15:39 12m 0s
Remove carbon-metal bonds longer than 2.4 Å
CI #67: Commit 125256e pushed by Liozou
May 13, 2024 15:10 12m 39s master
May 13, 2024 15:10 12m 39s
Up version to 0.4.9
CI #66: Commit 08196ed pushed by Liozou
April 20, 2024 08:44 14m 1s master
April 20, 2024 08:44 14m 1s
Fix O split exemption due to H-bonds
CI #65: Commit 13cafb3 pushed by Liozou
April 19, 2024 17:13 10m 19s master
April 19, 2024 17:13 10m 19s
Test H-bonds and Zeolite input
CI #64: Commit 83e1f38 pushed by Liozou
April 17, 2024 15:19 15m 5s master
April 17, 2024 15:19 15m 5s
Test H-bonds and Zeolite input
CI #63: Commit 98a28ad pushed by Liozou
April 17, 2024 14:46 10m 19s master
April 17, 2024 14:46 10m 19s
Bump to v0.4.7
CI #62: Commit cd86ead pushed by Liozou
April 16, 2024 10:19 14m 39s master
April 16, 2024 10:19 14m 39s
Add label_for_type option
CI #61: Commit f7079a3 pushed by Liozou
April 2, 2024 14:30 14m 33s master
April 2, 2024 14:30 14m 33s
Add tolerance option to determine_symmetries_dataset
CI #60: Commit fddbb83 pushed by Liozou
March 22, 2024 12:06 17m 53s master
March 22, 2024 12:06 17m 53s
Add tolerance option to determine_symmetries_dataset
CI #59: Commit ae06798 pushed by Liozou
March 22, 2024 12:04 4m 47s master
March 22, 2024 12:04 4m 47s
Bump archive to V2.5
CI #58: Commit f25fc46 pushed by Liozou
March 7, 2024 14:57 15m 17s master
March 7, 2024 14:57 15m 17s
Remove showprogress in test
CI #57: Commit 9ee4fac pushed by Liozou
February 27, 2024 13:22 14m 0s master
February 27, 2024 13:22 14m 0s
Document and complete one_topology
CI #56: Commit c289333 pushed by Liozou
January 30, 2024 16:19 15m 18s master
January 30, 2024 16:19 15m 18s
Extend parse_cgd support to general .cgd files
CI #55: Commit 6c86635 pushed by Liozou
January 29, 2024 18:14 13m 52s master
January 29, 2024 18:14 13m 52s
Better export_report
CI #54: Commit 0881b42 pushed by Liozou
January 22, 2024 11:52 14m 53s master
January 22, 2024 11:52 14m 53s
Update BEXVAD test
CI #53: Commit 64225a9 pushed by Liozou
January 19, 2024 16:22 13m 56s master
January 19, 2024 16:22 13m 56s
Fix method overwrite
CI #52: Commit 6a7b334 pushed by Liozou
January 19, 2024 16:04 9m 56s master
January 19, 2024 16:04 9m 56s
Add a couple of broken tests
CI #51: Commit 54f8de5 pushed by Liozou
January 19, 2024 15:55 8m 32s master
January 19, 2024 15:55 8m 32s
CI update for 1.10 and 1.11
CI #50: Commit 5708e01 pushed by Liozou
January 16, 2024 14:09 13m 45s master
January 16, 2024 14:09 13m 45s
Separate @iferror from @ifwarn
CI #49: Commit 10b84c0 pushed by Liozou
January 16, 2024 13:55 22s master
January 16, 2024 13:55 22s
Separate @iferror from @ifwarn
CI #48: Commit 089e129 pushed by Liozou
January 15, 2024 17:57 13m 16s master
January 15, 2024 17:57 13m 16s
Minor fixes
CI #47: Commit 49818b6 pushed by Liozou
November 21, 2023 17:20 26m 44s master
November 21, 2023 17:20 26m 44s
Fix bug in parse_as_chemfile, types need to be reversed (#19)
CI #46: Commit 6fb53b3 pushed by Liozou
November 21, 2023 17:18 14m 28s master
November 21, 2023 17:18 14m 28s