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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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d640c712f8
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apply new utility function to most places creating new styles
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2019-04-07 21:18:20 -04:00 |
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8a384df5c3
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use utils::strmatch() instead of strncmp()
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2019-03-27 06:19:42 -04:00 |
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0e213b80e9
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reorder operations in init() to fix a bug with compute chunk/atom deleting a fix
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2018-10-25 08:23:10 -06:00 |
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b481af51d6
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add pair_style deprecated and some tweaks for fix style
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2018-10-02 16:26:20 +02:00 |
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ca04e8f31c
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use snprintf() in a bunch of cases to avoid overflowing fixed size buffers with unchecked strings
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2018-09-06 02:57:53 -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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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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e91e505fb3
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remove dependence of dump modify 'at' and 'append'
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2017-10-06 09:44:29 -06:00 |
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7a90eef527
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Merge pull request #668 from ovilab/modify_deallocation_fix
Fixed proper deletion of fixes if fix is NULL
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2017-10-05 17:00:10 -06:00 |
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8d384b9149
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whitespace cleanup
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2017-10-02 15:03:48 -04:00 |
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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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09ad293425
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remove dead code
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2017-07-05 15:04:35 -04:00 |
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f670dba3d0
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3rd variant of Fortran wrapper for DFTB+ calling LAMMPS
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2017-07-03 14:24:16 -06:00 |
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3a01836325
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simplify code for rigid body overlap checks
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2017-06-05 16:39:17 -04:00 |
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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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f509f133af
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patch 13Dec16: neighbor refactor, Stan pppm/disp bug fix, M Brown INTEL package updates
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2016-12-13 17:14:28 -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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083ff54c0c
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small bug fixes
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15527 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-31 20:26:15 +00:00 |
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89b839056c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15335 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-07-16 22:14:24 +00:00 |
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3f802d97c9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15286 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-07-12 22:35:56 +00:00 |
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50ac419d3f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15159 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-06-08 23:15:55 +00:00 |
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0288bdba40
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15147 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-06-07 18:03:42 +00:00 |
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6334768dd1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15057 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-05-13 15:46:48 +00:00 |
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354e20f431
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-30 20:04:06 +00:00 |
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cee848f948
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-22 22:06:49 +00:00 |
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269bff4b14
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13344 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-31 18:47:58 +00:00 |
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ef209425f6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13341 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-31 17:38:53 +00:00 |
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bd37304ade
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13332 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-30 23:17:06 +00:00 |
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86daf16069
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12996 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-01-28 15:55:56 +00:00 |
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1af7b06052
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12827 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-12-12 00:20:19 +00:00 |
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b7ece0fb51
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12693 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-11-17 18:11:29 +00:00 |
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58a11d6bc2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12474 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-10 19:39:31 +00:00 |
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f864979cdd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12463 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-09 22:52:01 +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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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-14 16:30:03 +00:00 |
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d989a9d950
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11990 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-05-13 22:08:14 +00:00 |
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425fad8f71
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11952 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-05-09 15:27:08 +00:00 |
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53db68362e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11935 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-05-07 14:30:27 +00:00 |
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fd5b627cf0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11887 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-05-02 15:49:01 +00:00 |
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e6edae3916
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11765 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-10 19:20:03 +00:00 |
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056264f86f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10485 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-30 15:41:40 +00:00 |
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971b4e98df
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10346 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-25 15:49:50 +00:00 |
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87d674ca21
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10311 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 19:06:11 +00:00 |
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cb7f385d43
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10310 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 19:01:37 +00:00 |
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