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335fa2e742
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Addd born/matrix numdiff to example
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2022-02-19 17:07:21 -07:00 |
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a9481733a0
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Finished debugging, testing, documenting
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2022-01-28 18:34:30 -07:00 |
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3e3cd4c94d
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Added correct units for pressure, still getting wrong answer
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2022-01-21 19:46:54 -07:00 |
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3286fcb13a
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Added correct units for pressure, still getting wrong answer
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2022-01-21 19:29:23 -07:00 |
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c16caea13b
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Fixed bounds error
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2022-01-21 19:17:12 -07:00 |
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384b715d8c
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First pass at fix numdiff/stress
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2022-01-21 18:53:06 -07:00 |
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903e33d86e
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Added atom map into example, enforce atom map added to fix_numdiff, added error statement to fix_numdiff.h
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2020-03-09 10:33:04 -06:00 |
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36ec95c2f5
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fixed typo in numdiff example input
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2020-03-05 09:55:25 -07:00 |
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968f44601c
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Updated doc page with delta info and simplified example
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2020-03-04 19:08:57 -07:00 |
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0723bf3db7
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setup issues with fix numdiff
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2020-03-02 13:32:05 -07:00 |
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13bff07606
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Added documentation, added an example, avoided position round off, added in compute_pe's compute_scalar, now fix produces per-atom array instead of global array
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2020-02-25 15:32:37 -07:00 |
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