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bac8b267df
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make sure fix deform related variables are always initialized to avoid issues with the DomainOMP class.
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2019-05-05 10:26:27 -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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b685a0a7b8
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need to use fabs() when computing deltas when checking image flags for consistency
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2019-03-27 15:47:14 -04:00 |
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8cd70f7d78
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fix triclinic rounding bug for lib interface as well
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2018-10-19 15:27:38 -06:00 |
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a6dfab6f27
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recover some const'ness in Domain class, that was lost when merging MESSAGE package. fixes lib/atc compilation issue
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2018-09-04 09:13:22 -04:00 |
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78301e5e93
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Merge branch 'master' into cslib
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2018-08-31 16:30:28 -06:00 |
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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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b08a2fcd3b
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mended un-done changes from Git master
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2018-07-24 11:36:12 -06:00 |
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2f55981224
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new MESSAGE package for client/server/coupling
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2018-07-23 15:58:33 -06:00 |
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71e1867dd2
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move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class
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2018-05-10 00:50:20 -04:00 |
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3682bc47c2
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move enum{NO_REMAP,X_REMAP,V_REMAP} to Domain class in domain.h
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2018-05-10 00:20:10 -04:00 |
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d8138a5b4c
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move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it
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2018-05-09 18:11:31 -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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59dbb49cf9
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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ee862d8bf5
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replace leading tabs
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2018-03-16 12:34:33 -04:00 |
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534b7adde4
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Bugfix for checking image flags
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2017-10-09 21:29:07 +09:00 |
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d437650c77
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make certain Domain::box_change is initialized before use
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2017-06-06 08:08:10 -04:00 |
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f57f1efdff
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Setting lattice to NULL before creating
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2017-05-31 00:34:26 -07:00 |
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addd87c0f7
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new Section package and start doc pages and build scripts
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2017-05-04 11:22:20 -06:00 |
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3a054d1a82
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Fix more typos in src files
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2017-03-07 00:55:01 -05:00 |
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effbe18c46
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fix domain boundary indexing
the compiler pointed out that
boundary[2][2] doesn't exist.
If I understand this correctly,
those checks should be against
boundary[*][0].
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2017-01-25 15:24:01 -07:00 |
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5cd856c97f
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fix spring doc page update
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2017-01-17 09:02:56 -07:00 |
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ebbf60b112
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Merge pull request #319 from andeplane/domain_bug
Fixed bug in lamda_box_corners function
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2017-01-06 10:03:32 -07:00 |
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467377094a
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Merge pull request #314 from stanmoore1/fix-momentum-kokkos
Fix momentum kokkos
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2017-01-06 10:01:17 -07:00 |
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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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37d5567f6d
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Fixed bug in lamda_box_corners function
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2017-01-03 11:54:14 +01:00 |
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ca30c1ec88
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got fix_momentum_kokkos to compile
there are likely still some compile
errors for Kokkos+CUDA...
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2016-12-19 13:08:09 -07:00 |
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ae5764beac
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added functionity to lib interface
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2016-12-13 16:22:17 -07:00 |
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d9891abdf4
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new library functions
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2016-10-27 09:34:04 -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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a33753ae6f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-07-09 20:57:00 +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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36776f425b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14756 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-21 16:01:21 +00:00 |
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7642bc1775
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14697 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-01 18:41:30 +00:00 |
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d1a65e5f6a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14696 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-01 18:22:28 +00:00 |
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2926854b8d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14390 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-12-19 18:32:29 +00:00 |
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921bcfb12d
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Allowed non-full_energy with triclinic
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14359 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-12-11 23:15:38 +00:00 |
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59e5d36671
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Fixing region issue
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14343 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-12-10 16:04:31 +00:00 |
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ab01075956
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14336 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-12-09 22:31:43 +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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546186739c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14064 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-09-24 20:34:59 +00:00 |
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3841dd58ca
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13931 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-21 22:55:12 +00:00 |
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050244f229
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13510 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-02 14:26:05 +00:00 |
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f110488db0
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Added inside_nonperiodic()
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13482 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-05-18 21:08:06 +00:00 |
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aef75ace77
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Added inside box check for fix_gcmc moves
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13476 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-05-15 22:41:51 +00:00 |
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9435c9dcb1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13320 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-27 20:39:27 +00:00 |
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e1cd500a21
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13008 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-01-30 18:51:56 +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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d476b251e9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12753 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-11-20 18:16:39 +00:00 |
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b7e6d76f38
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12286 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-08 20:36:32 +00:00 |
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