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updated the NIPAM example docs CodeQL #324: Commit a18ce12 pushed by jewettaij
March 19, 2025 07:01 2m 46s master
master
March 19, 2025 07:01 2m 46s
renamed "oplsaa2023.lt" -> "oplsaa2024.lt". I just realized that the… CodeQL #323: Commit f671547 pushed by jewettaij
March 18, 2025 22:16 2m 43s master
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March 18, 2025 22:16 2m 43s
updated the AMBER examples so that they use GAFF2 (instead of GAFF) CodeQL #322: Commit 074ea2d pushed by jewettaij
March 18, 2025 17:43 2m 43s master
master
March 18, 2025 17:43 2m 43s
more cosmetic changes to the "NIPAM_polymer+water+ions" example CodeQL #321: Commit f74f6c6 pushed by jewettaij
March 18, 2025 06:17 2m 41s master
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March 18, 2025 06:17 2m 41s
corrected a README.md file for the "NIPAM_polymer+water+ions" example CodeQL #320: Commit 9dde5d1 pushed by jewettaij
March 18, 2025 05:35 2m 45s master
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March 18, 2025 05:35 2m 45s
corrected a README.md file for the "NIPAM_polymer+water+ions" example CodeQL #319: Commit 9aae866 pushed by jewettaij
March 18, 2025 05:34 2m 31s master
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March 18, 2025 05:34 2m 31s
added the NIPAM_polymer+water+ions example. (Thanks to Axel Kohlmeye… CodeQL #318: Commit ffbe103 pushed by jewettaij
March 18, 2025 05:25 3m 0s master
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March 18, 2025 05:25 3m 0s
simplified the procedure for using the OPLSAA force field. (Checking… CodeQL #317: Commit c750007 pushed by jewettaij
March 18, 2025 00:08 2m 54s master
master
March 18, 2025 00:08 2m 54s
renamed "oplsaa.lt"-->"oplsaa2023.lt" and updated the examples and do… CodeQL #316: Commit 09d0258 pushed by jewettaij
March 17, 2025 01:08 2m 49s master
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March 17, 2025 01:08 2m 49s
CodeQL CodeQL #315: Scheduled
March 14, 2025 08:50 2m 36s master
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March 14, 2025 08:50 2m 36s
CodeQL CodeQL #314: Scheduled
March 7, 2025 08:49 2m 51s master
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March 7, 2025 08:49 2m 51s
CodeQL CodeQL #313: Scheduled
February 28, 2025 08:48 2m 56s master
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February 28, 2025 08:48 2m 56s
CodeQL CodeQL #312: Scheduled
February 21, 2025 08:47 2m 38s master
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February 21, 2025 08:47 2m 38s
CodeQL CodeQL #311: Scheduled
February 14, 2025 08:47 2m 42s master
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February 14, 2025 08:47 2m 42s
corrected some mistakes in the comments (in the OPLSAA examples) that… CodeQL #310: Commit 43b9c79 pushed by jewettaij
February 13, 2025 00:19 2m 50s master
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February 13, 2025 00:19 2m 50s
1) README.md now includes conda install info. 2) Fixed the "propane"… CodeQL #309: Commit a9afe2c pushed by jewettaij
February 8, 2025 22:07 2m 50s master
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February 8, 2025 22:07 2m 50s
CodeQL CodeQL #308: Scheduled
February 7, 2025 08:46 2m 48s master
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February 7, 2025 08:46 2m 48s
corrected some misleading comments in the (opls) code CodeQL #307: Commit ad09ead pushed by jewettaij
February 3, 2025 03:28 2m 58s master
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February 3, 2025 03:28 2m 58s
Corrected a bug in OPLSAA ("oplsaa.lt") which incorrectly named sever… CodeQL #306: Commit 4d4b105 pushed by jewettaij
February 2, 2025 02:50 2m 51s master
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February 2, 2025 02:50 2m 51s
Edited the README.md file for the OPLSAA examples. CodeQL #305: Commit a07a385 pushed by jewettaij
February 1, 2025 07:02 2m 35s master
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February 1, 2025 07:02 2m 35s
Edited the README.md file for the OPLSAA examples. CodeQL #304: Commit e12fb80 pushed by jewettaij
February 1, 2025 07:01 2m 41s master
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February 1, 2025 07:01 2m 41s
Fixed all the broken links to the LAMMPS documentation. Also updated… CodeQL #303: Commit f2a1c33 pushed by jewettaij
February 1, 2025 06:58 2m 55s master
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February 1, 2025 06:58 2m 55s
NOTE: A few OPLSAA atom types have changed, breaking bacward compatib… CodeQL #302: Commit 6e3ddd0 pushed by jewettaij
February 1, 2025 06:32 3m 2s master
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February 1, 2025 06:32 3m 2s
CodeQL CodeQL #301: Scheduled
January 31, 2025 08:46 2m 48s master
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January 31, 2025 08:46 2m 48s
documentation changes (clarifying how improper interactions are speci… CodeQL #300: Commit 9124393 pushed by jewettaij
January 25, 2025 07:41 2m 39s master
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January 25, 2025 07:41 2m 39s