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7dafec1700
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Removed misleading doc information and included errors
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2020-03-10 16:12:02 -06:00 |
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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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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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cdb4275ced
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fix issue with restoring box-shifted atom coords
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2020-02-28 12:53:04 -07:00 |
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35f4a62566
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Change final displace atom to reset atom to save on memory and computation
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2020-02-27 11:31:33 -07:00 |
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236535f61b
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fixed include, fixed numdiff forces getting called before initialization
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2020-02-27 10:48:46 -07:00 |
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67bfda532f
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mods to fix numdiff
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2020-02-27 09:52:23 -07:00 |
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