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6e64ce7228
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add Modify::replace_fix() convenience function
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2020-11-01 16:05:41 -05:00 |
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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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45f80f4f06
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more include file updates found by iwyu
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2020-09-02 22:52:22 -04:00 |
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df29364be8
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simplify find/delete fix/compute functions in modify.cpp
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2020-06-28 18:39:19 -04:00 |
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1ea0eca2a5
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add convenience functions to modify to simplify creation of fixes and computes
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2020-06-26 14:49:53 -04:00 |
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d8ef5f6991
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added internal fix dummy command to enable more control of fix ordering
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2019-11-05 12:57:34 -07:00 |
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4ec3a508fc
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bulk removal of #include <cstdio> from header files
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2019-06-27 21:54:07 -04:00 |
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b53df3dd63
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disable optimization on functions building factories for many entries
this will speed up compilation and also avoid spurious warnings with gcc 4.4 and later
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2019-06-06 20:37:17 -04:00 |
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f2113ab04a
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update manual and headers for updated error message
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2019-04-08 07:16:22 -04:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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5221ac2d55
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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01051e4cb1
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refactoring of neighbor history
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2017-10-10 16:53:51 -06:00 |
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23e283f135
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Fixed proper deletion of fixes if fix is NULL
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2017-09-27 16:20:07 +02:00 |
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90ca0852c7
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use "body" list via Fix::extract() to correctly identify atoms in bodies
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2017-06-05 15:48:23 -04:00 |
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95d6f05a76
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add 3 APIs to Modify for checking if atoms overlap with any rigid fixes
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2017-06-05 12:41:37 -04:00 |
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99a68e487f
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fix suffix style handling bug for adding fixes and computes
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2017-05-25 02:01:04 -04:00 |
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dcede304df
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changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution
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2017-03-21 08:56:37 -06:00 |
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f6a819580c
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pair TIP4P bug fix for cutoffs >> box size
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2017-01-06 09:57:27 -07:00 |
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04f5eadcf1
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added LAST option to dump_modify thresh, more restart info printed out to screen
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2016-10-11 12:39:52 -06:00 |
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b190abea39
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sync with GH
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-09-08 20:20:32 +00:00 |
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a6f62209af
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2016-07-16 22:14:50 +00:00 |
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3f802d97c9
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2016-07-12 22:35:56 +00:00 |
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d55f968432
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2016-06-17 23:48:15 +00:00 |
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f7e17e97e8
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2015-12-17 15:46:12 +00:00 |
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354e20f431
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2015-10-30 20:04:06 +00:00 |
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cee848f948
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2015-10-22 22:06:49 +00:00 |
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448b9f66f0
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2015-09-24 20:18:19 +00:00 |
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269bff4b14
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2015-03-31 18:47:58 +00:00 |
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bd37304ade
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2015-03-30 23:17:06 +00:00 |
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84a5ec39ec
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2015-03-23 23:30:50 +00:00 |
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4c2103f695
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2015-03-18 21:54:52 +00:00 |
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86daf16069
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2015-01-28 15:55:56 +00:00 |
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10dfed77c9
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2014-08-14 20:07:39 +00:00 |
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0f6eb0877e
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2014-08-14 16:30:03 +00:00 |
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fe1ade5fad
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2014-07-30 14:59:20 +00:00 |
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45224e6d89
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2014-02-12 00:35:10 +00:00 |
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cb7f385d43
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2013-07-23 19:01:37 +00:00 |
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7a286596d8
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2013-02-08 21:38:50 +00:00 |
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a62be73ba7
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2013-02-08 18:09:25 +00:00 |
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da49b01f76
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2013-01-03 17:17:45 +00:00 |
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06d12cd6ec
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2012-06-29 21:10:03 +00:00 |
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a8af5ea42f
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2012-06-18 23:03:41 +00:00 |
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ef9e700545
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2012-06-06 22:47:51 +00:00 |
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c27e7ac989
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2012-05-25 14:33:24 +00:00 |
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f35d71d798
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2012-05-18 22:45:56 +00:00 |
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4f48544d41
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2011-12-16 21:15:49 +00:00 |
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891740f4a2
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2011-12-16 01:37:13 +00:00 |
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ba299cf0eb
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2011-08-17 14:24:44 +00:00 |
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e97e40698a
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2011-05-23 14:04:44 +00:00 |
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f4d2ebfb54
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2011-05-20 15:40:22 +00:00 |
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