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Fix Logging use for v1.12
Documentation #96: Commit e9adbe6 pushed by Liozou
May 13, 2024 16:10 8m 51s master
May 13, 2024 16:10 8m 51s
Fix Logging use for v1.12
Documentation #95: Commit 9ae853f pushed by Liozou
May 13, 2024 15:53 8m 57s master
May 13, 2024 15:53 8m 57s
Fix Logging use for v1.12
Documentation #94: Commit 52d240d pushed by Liozou
May 13, 2024 15:39 9m 43s master
May 13, 2024 15:39 9m 43s
Remove carbon-metal bonds longer than 2.4 Å
Documentation #93: Commit 125256e pushed by Liozou
May 13, 2024 15:10 8m 46s master
May 13, 2024 15:10 8m 46s
Up version to 0.4.9
Documentation #92: Commit 08196ed pushed by Liozou
April 20, 2024 08:44 8m 24s master
April 20, 2024 08:44 8m 24s
Fix O split exemption due to H-bonds
Documentation #91: Commit 13cafb3 pushed by Liozou
April 19, 2024 17:13 8m 17s master
April 19, 2024 17:13 8m 17s
Test H-bonds and Zeolite input
Documentation #90: Commit 83e1f38 pushed by Liozou
April 17, 2024 15:19 8m 38s master
April 17, 2024 15:19 8m 38s
Test H-bonds and Zeolite input
Documentation #89: Commit 98a28ad pushed by Liozou
April 17, 2024 14:46 9m 34s master
April 17, 2024 14:46 9m 34s
Bump to v0.4.7
Documentation #88: Commit cd86ead pushed by Liozou
April 16, 2024 10:19 8m 26s master
April 16, 2024 10:19 8m 26s
Add label_for_type option
Documentation #87: Commit f7079a3 pushed by Liozou
April 2, 2024 14:30 8m 59s master
April 2, 2024 14:30 8m 59s
Add tolerance option to determine_symmetries_dataset
Documentation #86: Commit fddbb83 pushed by Liozou
March 22, 2024 12:06 8m 20s master
March 22, 2024 12:06 8m 20s
Add tolerance option to determine_symmetries_dataset
Documentation #85: Commit ae06798 pushed by Liozou
March 22, 2024 12:04 4m 35s master
March 22, 2024 12:04 4m 35s
Bump archive to V2.5
Documentation #84: Commit f25fc46 pushed by Liozou
March 7, 2024 14:57 8m 26s master
March 7, 2024 14:57 8m 26s
Remove showprogress in test
Documentation #83: Commit 9ee4fac pushed by Liozou
February 27, 2024 13:22 8m 26s master
February 27, 2024 13:22 8m 26s
Document and complete one_topology
Documentation #82: Commit c289333 pushed by Liozou
January 30, 2024 16:19 8m 38s master
January 30, 2024 16:19 8m 38s
Extend parse_cgd support to general .cgd files
Documentation #81: Commit 6c86635 pushed by Liozou
January 29, 2024 18:14 8m 29s master
January 29, 2024 18:14 8m 29s
Better export_report
Documentation #80: Commit 0881b42 pushed by Liozou
January 22, 2024 11:52 8m 30s master
January 22, 2024 11:52 8m 30s
Update BEXVAD test
Documentation #79: Commit 64225a9 pushed by Liozou
January 19, 2024 16:22 8m 57s master
January 19, 2024 16:22 8m 57s
Fix method overwrite
Documentation #78: Commit 6a7b334 pushed by Liozou
January 19, 2024 16:04 8m 33s master
January 19, 2024 16:04 8m 33s
Add a couple of broken tests
Documentation #77: Commit 54f8de5 pushed by Liozou
January 19, 2024 15:55 6m 30s master
January 19, 2024 15:55 6m 30s
CI update for 1.10 and 1.11
Documentation #76: Commit 5708e01 pushed by Liozou
January 16, 2024 14:09 8m 28s master
January 16, 2024 14:09 8m 28s
Separate @iferror from @ifwarn
Documentation #75: Commit 10b84c0 pushed by Liozou
January 16, 2024 13:55 9m 18s master
January 16, 2024 13:55 9m 18s
Separate @iferror from @ifwarn
Documentation #74: Commit 089e129 pushed by Liozou
January 15, 2024 17:57 9m 21s master
January 15, 2024 17:57 9m 21s
Minor fixes
Documentation #73: Commit 49818b6 pushed by Liozou
November 21, 2023 17:20 9m 0s master
November 21, 2023 17:20 9m 0s
Fix bug in parse_as_chemfile, types need to be reversed (#19)
Documentation #72: Commit 6fb53b3 pushed by Liozou
November 21, 2023 17:18 10m 8s master
November 21, 2023 17:18 10m 8s