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200b4f13c7
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use dynamic cast instead of c-style cast when casting from base type to derived class
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2022-04-10 18:18:06 -04:00 |
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25d8950f94
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Merge branch 'develop' into neigh-request-refactor
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2022-03-15 11:39:45 -04:00 |
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3b0a6ac840
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add support for requesting SSA neighbor lists and update a few more styles
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2022-03-08 06:17:13 -05:00 |
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b4da01c23a
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reduce compiler warnings and need for private variables in OpenMP pragmas
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2022-03-02 22:19:28 -05:00 |
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4c0192cae1
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rename forward communication functions for pair, fix, compute, and dump
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2022-02-21 21:15:10 -05:00 |
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81587527fe
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Merge pull request #3120 from rbberger/collected_small_changes
Collected small changes
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2022-02-11 20:26:10 -05:00 |
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54f975ff52
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Merge pull request #3123 from stanmoore1/reax_error
Remove incorrect error check in ReaxFF
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2022-02-11 19:34:53 -05:00 |
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a8dbb3a172
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Remove incorrect error check in ReaxFF
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2022-02-11 13:39:24 -07:00 |
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6366972ef4
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remove dead code and reduce compiler warnings
# Conflicts:
# src/RIGID/fix_rigid_small.cpp
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2022-02-10 14:41:09 -05:00 |
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f6fb392c4d
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convert some more styles to use the new APIs
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2021-10-17 19:19:23 -04:00 |
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8b9dd6b0c1
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Add ACKS2 charge equilibration method to REAXFF and support for electric fields in QEq
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2021-09-08 15:06:23 -06:00 |
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29bf3acd9e
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apply changes to modify class
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2021-08-06 18:34:32 -04:00 |
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9cf50eb4db
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add allocation and reduction for per-atom stress with OpenMP
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2021-07-21 22:44:18 -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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