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78c10bac4a
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clang-format update
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2022-04-23 13:08:11 -04:00 |
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79a7d2abf6
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remove error docs from header files
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2022-04-22 23:31:15 -04:00 |
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25d8950f94
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Merge branch 'develop' into neigh-request-refactor
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2022-03-15 11:39:45 -04:00 |
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0fcf40c48e
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use MathConst::MY_PI more consistently and benefit from it being a constexpr
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2022-03-10 14:14:32 -05:00 |
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deb694745b
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update neighbor list requests with default settings
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2022-03-08 06:34:27 -05:00 |
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a0996da644
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apply new APIs to a few representative cases
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2022-03-02 21:31:35 -05:00 |
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de4a9f268e
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rename reverse communication calls
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2022-02-21 21:18:28 -05:00 |
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4c0192cae1
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rename forward communication functions for pair, fix, compute, and dump
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2022-02-21 21:15:10 -05:00 |
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3bc91386a0
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apply include statement updates suggested by running IWYU
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2022-02-13 19:39:15 -05:00 |
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06beb28d7d
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Apply override to Pair classes
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2022-01-21 16:13:49 -05:00 |
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85433e8bd1
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use true/false instead of 1/0 detected and changed by clang-tidy
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2021-10-20 12:41:02 -04:00 |
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d857685e74
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use emplace_back() instead of push_back()
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2021-10-14 01:31:48 -04:00 |
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bca99f684f
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update list and order of include files from include-what-you-use analysis
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2021-09-18 14:16:48 -04:00 |
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ef8a0e5005
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removed dead code, reformat
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2021-09-16 00:55:30 -04:00 |
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90e0de8dca
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update MEAM package to correctly handle pair_modify nofdotr
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2021-07-11 16:32:46 -04:00 |
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dc3efd17d2
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rename USER-MEAMC to MEAM and pair style meam/c to meam (keeping meam/c as an alias)
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2021-06-29 16:59:05 -04:00 |
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054c525842
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remove REAX and MEAM from src folder
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2018-12-10 12:07:51 -05:00 |
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cda89283aa
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warn more loudly about REAX and MEAM going away soon
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2018-09-18 22:13:17 -04:00 |
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9c27548a5c
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more replacing of sprintf() with snprintf()
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2018-09-06 10:45:48 -04:00 |
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71bc72ec13
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formatting: add additional space to avoid bad syntax highlights
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2018-08-27 22:13:43 -04:00 |
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92a4dc25b1
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Fix unused params in packages (#1076)
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2018-08-24 10:42:08 -06:00 |
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a7a83b118d
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update dependencies for USER-CGSDK package. make script permissions consistent
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2018-05-09 16:13:54 -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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77a628e4ef
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make the deprecation warning nicer looking
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2017-08-09 19:13:40 -04:00 |
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210a77c5a0
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add a deprecation warning to pair style meam and make the reax one consistent with it
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2017-08-09 16:36:51 -04:00 |
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d6357420ae
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propagate global package installation bugfix to explicit package scripts
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2017-04-07 15:29:56 -04:00 |
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1cd4c48ccc
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new SNAP potential for W
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2017-02-21 15:49:21 -07:00 |
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f9a9e27f5a
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add error location propagation to atom->set_mass() and atom->check_mass()
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2016-10-26 16:01:40 -04:00 |
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484122b8b6
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sync with GH
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15592 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-09-16 19:21:34 +00:00 |
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0f6d21acda
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sync with Git
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15576 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-09-14 15:27:51 +00:00 |
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236241b100
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sync with Git
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15518 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-27 23:09:15 +00:00 |
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8e36364f5c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14805 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-07 21:04:44 +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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4a975dd8cf
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-01-19 23:49:20 +00:00 |
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fa76884b09
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12897 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-01-08 18:16:47 +00:00 |
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7518fae9bc
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-21 17:09:24 +00:00 |
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2cca373515
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12253 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-06 16:07:54 +00:00 |
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f461504c93
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-18 15:25:28 +00:00 |
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1fac1d41fa
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11789 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-15 15:24:27 +00:00 |
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0de9e4252b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11701 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-04 16:40:17 +00:00 |
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1ba04dabf6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11393 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-30 18:30:18 +00:00 |
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b92fa00337
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10104 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-27 20:15:36 +00:00 |
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a5da3aa1ce
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9987 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-31 15:17:46 +00:00 |
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0a442b6aa4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-30 16:24:01 +00:00 |
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4baf5cec99
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8360 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-20 18:06:29 +00:00 |
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dc9431dcb2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8343 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-19 20:44:29 +00:00 |
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7b55b61abb
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8342 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-19 20:33:12 +00:00 |
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ef9e700545
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-06 22:47:51 +00:00 |
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0b2c652aa9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-02-01 15:46:16 +00:00 |
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