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0183e999c9
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consistently return "memory_usage" as double.
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2020-09-15 01:59:58 -04:00 |
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6113169a47
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IWYU based include statement cleanup
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2020-09-02 17:39:34 -04:00 |
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96d8d12a88
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replace calls to force->*numeric() with the corresponding utils::*numeric()
this also removes the now obsolete functions from Force
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2020-08-29 20:31:02 -04:00 |
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a5651acb49
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must not forget to generate compute ids and store them.
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2020-06-26 15:42:37 -04:00 |
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9825cd2569
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silence compiler warnings
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2020-03-19 00:50:30 -04:00 |
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78a2f86235
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whitespace fixes
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2020-03-18 23:13:19 -04:00 |
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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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0e58c1b299
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fix issues with restoring box-shifted coords
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2020-02-28 12:55:27 -07:00 |
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aaed572b01
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Merge branch 'fix_numerical_differentiation' of github.com:charlessievers/lammps into charlie
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2020-02-28 12:53:28 -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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fbee5966f6
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added cstring back to includes
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2020-02-27 14:42:31 -07:00 |
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7a720ee9cf
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removed cstring from includes and fixed style warnings
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2020-02-27 13:54:29 -07:00 |
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10fa9aa074
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added cstring to includes
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2020-02-27 11:37:02 -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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