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776dc34411
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Add missing vars
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2022-04-04 12:28:03 -06:00 |
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f42635a40d
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Should be nall not nghost
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2022-04-04 12:08:38 -06:00 |
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b4fc86e467
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Fix issues in ReaxFF QEq and ACKS2
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2022-04-04 10:24:54 -06:00 |
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de4a9f268e
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rename reverse communication calls
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2022-02-21 21:18:28 -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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6d2b32f0b2
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move chi field calculation to fix qeq/reaxff
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2021-10-11 14:35:23 -04:00 |
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70cbc5e364
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Add external field contribution to OPENMP QEq
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2021-09-09 08:30:57 -06:00 |
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4f825db5ab
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Add external field contribution to OPENMP QEq
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2021-09-08 20:54:42 -06:00 |
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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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