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332006923d
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Name change: langevin/gjf to gjf
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2025-04-29 12:00:06 -07:00 |
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11f6b3483b
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Updated documentation, updated log files
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2025-04-28 13:02:47 -07:00 |
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648cd3f0c6
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Temperature bias capability
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2025-04-22 17:43:21 -07:00 |
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e4c3b0c05e
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New example and log files
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2025-04-14 11:33:02 -07:00 |
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09d3ac0a1b
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Updated GJ-VII, GJ-VIII
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2025-04-11 20:07:25 -07:00 |
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43a7b14b7c
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New example structure
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2025-04-10 12:01:02 -07:00 |
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bfcab685ce
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add reference outputs to example input
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2019-10-15 17:28:35 +02:00 |
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9c5c33e869
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Updated gjf examples
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2019-10-14 14:39:45 -07:00 |
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a948a34f8a
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added false positive, removed graphs from examples, updated langevin kokkos, improved diff readability in langevin
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2019-09-12 16:34:15 -07:00 |
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7aab3797b3
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Updated MD results readme
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2019-09-10 17:14:44 -07:00 |
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90296b76e3
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Added a readme to the md results folder
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2019-09-10 17:11:49 -07:00 |
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e34b7840d5
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Updated documentation and added MD results
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2019-09-10 15:53:32 -07:00 |
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cc96ea1ded
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added respa compatability, and simplified examples
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2019-07-25 15:23:01 -07:00 |
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13f4fe186b
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Updated examples/gjf/README.md
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2019-07-24 16:30:02 -07:00 |
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b97e856bf2
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Tally works and example readmes addes
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2019-07-24 16:21:49 -07:00 |
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f4da632870
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recent change to gjf tally (not working)
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2019-07-24 16:21:49 -07:00 |
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4a80edd75f
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updated fix_langevin and made example
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2019-07-24 16:21:48 -07:00 |
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