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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
main
April 17, 2024 03:35 37s
Now trying the neb nn rgd1 path for energy profiles and the barrier e… docs #20: Commit 7ddf57c pushed by kumaranu
April 17, 2024 03:35 37s main
main
April 17, 2024 03:35 37s
Now trying the neb nn 1 path for energy profiles and the barrier erro… docs #19: Commit 31a0b20 pushed by kumaranu
April 17, 2024 03:29 39s main
main
April 17, 2024 03:29 39s
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
main
April 17, 2024 03:29 37s
Added barrier height errors and also changed the energy profile figur… docs #18: Commit aba52b4 pushed by kumaranu
April 17, 2024 03:21 39s main
main
April 17, 2024 03:21 39s
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
main
April 17, 2024 03:21 34s
changed the ref_dir path in the main file to include the nn rgd1 files. docs #17: Commit c1bcfdb pushed by kumaranu
April 17, 2024 00:14 47s main
main
April 17, 2024 00:14 47s
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
main
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
main
April 16, 2024 22:53 41s
changed the ref_dir path in the main file to include the nn inputs1 f… docs #16: Commit 99a8f96 pushed by kumaranu
April 16, 2024 22:53 36s main
main
April 16, 2024 22:53 36s
changed the ref_dir path in the main file to include the nn inputs1 f… docs #15: Commit 192afcc pushed by kumaranu
April 16, 2024 22:50 35s main
main
April 16, 2024 22:50 35s
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
main
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
main
April 16, 2024 22:48 36s
changed the ref_dir path in the main file. docs #14: Commit 40382a4 pushed by kumaranu
April 16, 2024 22:48 39s main
main
April 16, 2024 22:48 39s
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
main
April 16, 2024 22:44 35s
Modified the script to check the graph isomorphism to not have a hard… docs #13: Commit 52d91d2 pushed by kumaranu
April 16, 2024 22:44 36s main
main
April 16, 2024 22:44 36s
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
Auto stash before merge of "main" and "origin/main" docs #12: Commit c2713ed pushed by kumaranu
April 16, 2024 22:24 50s main
main
April 16, 2024 22:24 50s
added more files from the analysis scripts on nersc docs #11: Commit cced07f pushed by kumaranu
April 15, 2024 22:54 44s main
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April 15, 2024 22:54 44s
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
adding latest calc.py docs #10: Commit a2a88a6 pushed by kumaranu
April 15, 2024 22:51 40s main
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April 15, 2024 22:51 40s
added global path for cpu mace model inside calc.py docs #9: Commit dd41c98 pushed by kumaranu
March 12, 2024 20:51 42s main
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March 12, 2024 20:51 42s
added global path for cpu mace model inside calc.py tests #9: Commit dd41c98 pushed by kumaranu
March 12, 2024 20:51 39s main
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March 12, 2024 20:51 39s
Changed the GPU call to CPU docs #8: Commit 7cb7ac9 pushed by kumaranu
March 12, 2024 20:44 34s main
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March 12, 2024 20:44 34s