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6b94126f67
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change flag name in pair.h: cntratmstressflag -> centroidstressflag
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2019-11-13 18:37:48 +09:00 |
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7db3d7b5c0
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setting cntatmstressflag = 1 for true pariwise styles
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2019-11-12 00:02:50 +09:00 |
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fe20490891
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more use of utils::sfread()
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2019-10-17 17:06:12 -04:00 |
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91a80c3c21
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Silence another compiler warning
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2019-08-20 19:28:03 -04:00 |
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fffe2eb958
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Silence compiler warning
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2019-08-20 19:26:26 -04:00 |
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9a849a4d4f
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Merge branch 'master' into master
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2019-08-19 15:55:39 -06:00 |
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226e68a784
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Rename Pair::pairTensor() => Pair::hessian_twobody()
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2019-07-12 22:42:23 -04:00 |
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ce6fa0118a
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continuing to clean up include file lists
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2019-07-04 08:39:17 -04:00 |
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256531a29a
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put implementation header first for all remaining main folder source files
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2019-07-03 19:34:13 -04:00 |
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ef1b62a422
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rename single2nd => single_hessian
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2019-07-01 20:44:03 -04:00 |
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622cfd5718
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Add single2nd_enable flag for Pair
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2019-06-14 14:12:09 -04:00 |
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db3de8a31b
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rename Pair::single to single2nd
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2019-06-14 13:48:31 -04:00 |
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56ae35fb1a
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Address feedback on PR #1503
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2019-06-12 13:09:33 -04:00 |
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de893c8cdd
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Merge remote-tracking branch 'upstream/master'
Conflicts:
doc/src/compute.txt
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2019-03-27 10:05:04 -04:00 |
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06a57dd659
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use ev_unset for all pair styles
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2019-03-13 17:49:16 +01:00 |
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3367a408b2
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Add single2 method to Pair that can compute and return the Hessian matrix
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2018-11-08 12:03:24 -05:00 |
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e9bc939098
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Fix more unused parameter warnings (#1076)
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2018-08-23 12:22:44 -06:00 |
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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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51fc386e72
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correct the inner loop range for resetting cutoffs when redefining a pair style
this was reported by frank uhlig on lammps-users for lj/cut, but it applies to many more pair styles
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2017-05-16 00:26:18 -04:00 |
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35753b8f08
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add error location propagation to force->bounds() and force->boundsbig()
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2016-10-26 15:53:02 -04:00 |
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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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5e1d34a23d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11617 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-10 15:56:49 +00:00 |
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aa33af4032
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-28 19:00:58 +00:00 |
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a4b5cb4dc9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8537 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-06 22:23:19 +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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472c128004
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7522 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-01-10 20:20:38 +00:00 |
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4c61ce2fb4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7478 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-01-09 17:55:39 +00:00 |
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