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37cb1ce30f
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Merge branch 'develop' of github.com:lammps/lammps into compute_reaxff_bonds_local
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2023-12-13 11:14:45 -07:00 |
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00be75e084
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update example inputs and logs for change in ReaxFF required name
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2023-11-30 10:31:08 -05:00 |
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16f0806da0
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Rename compute to reaxff/atom
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2023-11-21 11:19:47 -07:00 |
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9bffeb9512
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Next iteration
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2023-11-20 11:14:05 -07:00 |
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ca143e6ba8
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undo minor change
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2023-11-20 11:14:05 -07:00 |
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fea5f5a243
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First serial version of Steve's suggestion
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2023-11-20 11:14:05 -07:00 |
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250eac93dc
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fix bug in the reaxff HNS benchmark
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2023-06-03 07:34:39 +02:00 |
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c8dc6c5010
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whitespace
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2021-10-13 18:25:13 -04:00 |
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74219585f3
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Update log files
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2021-10-13 14:03:50 -06:00 |
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727a028a6f
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Add inputs with field
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2021-10-13 13:08:08 -06:00 |
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9063466c03
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move ACKS2 force field file to potentials folder and add LAMMPS-style metadata
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2021-09-21 14:37:37 -04:00 |
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d79b1b3145
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Tweak example and add reference logs
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2021-09-20 13:01:57 -06:00 |
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9feab449fb
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Add ACKS2 example
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2021-09-20 12:23:19 -06:00 |
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b4acacf5cb
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add minimal example and a unit test input
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2021-09-14 16:40:42 -04:00 |
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c78d4eab36
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update standard examples for new style names
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2021-07-21 22:52:43 -04:00 |
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f8f4af471f
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general rename of files, styles, and keywords from "reax/c", "reax", or "reaxc" to "reaxff"
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2021-07-21 21:52:25 -04:00 |
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