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trying docs after installing the req. packages locally. tests #34: Commit 04b4838 pushed by kumaranu
May 18, 2024 03:41 3m 30s main
main
May 18, 2024 03:41 3m 30s
sella tests #33: Commit 131395b pushed by kumaranu
May 17, 2024 07:00 4m 47s main
main
May 17, 2024 07:00 4m 47s
newtonnet correction. tests #32: Commit 467feea pushed by kumaranu
May 17, 2024 06:54 3m 10s main
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May 17, 2024 06:54 3m 10s
newtonnet tests #31: Commit d440371 pushed by kumaranu
May 17, 2024 06:44 57s main
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May 17, 2024 06:44 57s
mace tests #30: Commit 130a91d pushed by kumaranu
May 17, 2024 06:39 2m 39s main
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May 17, 2024 06:39 2m 39s
Added mace in the requirements. tests #29: Commit 38d5ebc pushed by kumaranu
May 17, 2024 06:31 50s main
main
May 17, 2024 06:31 50s
added ase in the requirements for the tests. tests #28: Commit 6ecdebb pushed by kumaranu
May 17, 2024 06:25 2m 50s main
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May 17, 2024 06:25 2m 50s
Added more test requirements tests #27: Commit 89d0932 pushed by kumaranu
May 17, 2024 06:19 2m 9s main
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May 17, 2024 06:19 2m 9s
Added set up images tests. tests #26: Commit b18626c pushed by kumaranu
May 17, 2024 06:13 46s main
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May 17, 2024 06:13 46s
added tests for calc.py tests #25: Commit ac57d3d pushed by kumaranu
May 17, 2024 05:27 38s main
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May 17, 2024 05:27 38s
Added codecov section on GitHub repo. tests #24: Commit 915014e pushed by kumaranu
May 17, 2024 01:42 43s main
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May 17, 2024 01:42 43s
Auto stash before merge of "main" and "origin/main" tests #23: Commit dfeb6bd pushed by kumaranu
May 17, 2024 01:36 53s main
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May 17, 2024 01:36 53s
cleaned the neb_wrapper docs tests #22: Commit 6d05583 pushed by kumaranu
May 15, 2024 08:29 45s main
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May 15, 2024 08:29 45s
Added docs for the main file called test1.py. tests #21: Commit 39b0662 pushed by kumaranu
May 15, 2024 06:24 38s main
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May 15, 2024 06:24 38s
Now trying the neb nn rgd1 path for energy profiles and the barrier e… tests #20: Commit 7ddf57c pushed by kumaranu
April 17, 2024 03:35 37s main
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April 17, 2024 03:35 37s
Now trying the neb nn 1 path for energy profiles and the barrier erro… tests #19: Commit 31a0b20 pushed by kumaranu
April 17, 2024 03:29 37s main
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April 17, 2024 03:29 37s
Added barrier height errors and also changed the energy profile figur… tests #18: Commit aba52b4 pushed by kumaranu
April 17, 2024 03:21 34s main
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April 17, 2024 03:21 34s
changed the ref_dir path in the main file to include the nn rgd1 files. tests #17: Commit c1bcfdb pushed by kumaranu
April 17, 2024 00:14 42s main
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April 17, 2024 00:14 42s
changed the ref_dir path in the main file to include the nn inputs1 f… tests #16: Commit 99a8f96 pushed by kumaranu
April 16, 2024 22:53 41s main
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April 16, 2024 22:53 41s
changed the ref_dir path in the main file to include the nn inputs1 f… tests #15: Commit 192afcc pushed by kumaranu
April 16, 2024 22:50 35s main
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April 16, 2024 22:50 35s
changed the ref_dir path in the main file. tests #14: Commit 40382a4 pushed by kumaranu
April 16, 2024 22:48 36s main
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April 16, 2024 22:48 36s
Modified the script to check the graph isomorphism to not have a hard… tests #13: Commit 52d91d2 pushed by kumaranu
April 16, 2024 22:44 35s main
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April 16, 2024 22:44 35s
Auto stash before merge of "main" and "origin/main" tests #12: Commit c2713ed pushed by kumaranu
April 16, 2024 22:24 43s main
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April 16, 2024 22:24 43s
added more files from the analysis scripts on nersc tests #11: Commit cced07f pushed by kumaranu
April 15, 2024 22:54 37s main
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April 15, 2024 22:54 37s
adding latest calc.py tests #10: Commit a2a88a6 pushed by kumaranu
April 15, 2024 22:51 33s main
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April 15, 2024 22:51 33s