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Fix neb spec test Core Tests #21: Commit ed9cf7c pushed by bennybp
June 7, 2024 00:05 1h 17m 2s main
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June 7, 2024 00:05 1h 17m 2s
Update procedure data for neb Core Tests #20: Commit 937810e pushed by bennybp
June 6, 2024 22:23 28m 11s main
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June 6, 2024 22:23 28m 11s
hessian_reset keyword has been deleted Core Tests #19: Commit 862383b pushed by hjnpark
May 11, 2024 01:15 1h 44m 46s main
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May 11, 2024 01:15 1h 44m 46s
hessian_reset keyword has been deleted Core Tests #18: Commit 862383b pushed by hjnpark
May 11, 2024 01:08 45m 19s next
next
May 11, 2024 01:08 45m 19s
hessian_reset keyword is deleted Core Tests #17: Commit 614bb95 pushed by hjnpark
May 10, 2024 21:38 22m 21s main
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May 10, 2024 21:38 22m 21s
neb.result can be returned from singlepoint records if offline Core Tests #16: Commit 004f1f9 pushed by hjnpark
April 26, 2024 18:50 28m 25s main
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April 26, 2024 18:50 28m 25s
Update neb record model test Core Tests #15: Commit 5cd910a pushed by bennybp
March 20, 2024 15:21 52m 3s main
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March 20, 2024 15:21 52m 3s
Increase test iterations for NEB Core Tests #14: Commit 5aad307 pushed by bennybp
March 20, 2024 13:59 6h 0m 29s main
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March 20, 2024 13:59 6h 0m 29s
Update NEB test data Core Tests #13: Commit 703bf4e pushed by bennybp
March 19, 2024 18:47 6h 0m 32s main
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March 19, 2024 18:47 6h 0m 32s
Update repo for geometric Core Tests #12: Commit 44efb3a pushed by bennybp
March 19, 2024 14:51 22m 36s main
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March 19, 2024 14:51 22m 36s
neb/record_models.py was modified Core Tests #11: Commit ed422c7 pushed by hjnpark
March 15, 2024 14:25 23m 41s main
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March 15, 2024 14:25 23m 41s
neb test update Core Tests #10: Commit c69236d pushed by hjnpark
March 11, 2024 16:20 22m 47s main
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March 11, 2024 16:20 22m 47s
minor changes for neb Core Tests #9: Commit 850e60f pushed by hjnpark
March 8, 2024 19:09 32m 4s main
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March 8, 2024 19:09 32m 4s
minor changes for neb Core Tests #8: Commit 17b48d1 pushed by hjnpark
March 8, 2024 18:43 25m 53s main
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March 8, 2024 18:43 25m 53s
pull from molssi/main, neb record_models.py was modified Core Tests #7: Commit 423e400 pushed by hjnpark
March 8, 2024 15:57 22m 16s main
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March 8, 2024 15:57 22m 16s
_fetch_singlepoints extracts the hessian SP record when ts optimizati… Core Tests #6: Commit aecc5b6 pushed by hjnpark
October 20, 2023 21:39 33m 30s main
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October 20, 2023 21:39 33m 30s
_fetch_singlepoints extracts the hessian SP record when ts optimizati… Core Tests #5: Commit a4711ee pushed by hjnpark
October 20, 2023 21:38 25m 13s main
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October 20, 2023 21:38 25m 13s
SinglepointRecord for the TS Hessian can be request by rec.ts_hessian Core Tests #4: Commit fc75aa9 pushed by hjnpark
October 17, 2023 00:32 27m 39s main
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October 17, 2023 00:32 27m 39s
neb test is updated Core Tests #3: Commit 82dff31 pushed by hjnpark
October 14, 2023 00:04 25m 37s main
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October 14, 2023 00:04 25m 37s
neb.final_chain is added Core Tests #2: Commit 8289de4 pushed by hjnpark
October 13, 2023 19:08 25m 11s main
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October 13, 2023 19:08 25m 11s