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77565add6e
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Add C++14 to Makefile build system
Change-Id: I24f72b4aaca93a49877775c3d181507c83cd7f82
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2022-04-07 17:54:20 -04:00 |
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ab0e5d5568
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Fix for building GPU backend on ROCm 5.0+
Change-Id: I32ad9be86d6a0467ccae555a1d0272813c905e97
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2022-04-07 17:48:03 -04:00 |
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b4cc158981
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Merge pull request #3182 from charlessievers/mliap
ML-IAP updates
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2022-04-05 22:07:27 -04:00 |
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cd0b921ed2
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Merge pull request #3203 from stanmoore1/acks2_bug
Fix issues in ReaxFF QEq and ACKS2
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2022-04-05 16:29:30 -04:00 |
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22392d226a
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silence compiler warnings
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2022-04-04 21:11:09 -04:00 |
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a5139d7100
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make sure "NN" is initialized before it is used
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2022-04-04 21:03:15 -04:00 |
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288c154290
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Merge pull request #3186 from Ruyk/kokkos-sycl-cmake
Add kokkos-sycl.cmake preset
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2022-04-04 16:12:24 -04:00 |
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c274146358
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whitespace
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2022-04-04 15:40:19 -04:00 |
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3eb7194619
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Merge branch 'develop' into acks2_bug
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2022-04-04 15:39:44 -04:00 |
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3e01bc48d4
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Need s ghosts
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2022-04-04 13:05:10 -06:00 |
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134c77a5c6
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reference kokkos-sycl.cmake in the docs
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2022-04-04 14:47:53 -04:00 |
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fd80b1bd9b
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Merge pull request #3201 from samueljmcameron/bugfix_dumpvtk
Bug fix in vtk dump.
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2022-04-04 14:40:56 -04:00 |
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776dc34411
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Add missing vars
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2022-04-04 12:28:03 -06:00 |
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f42635a40d
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Should be nall not nghost
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2022-04-04 12:08:38 -06:00 |
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b4fc86e467
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Fix issues in ReaxFF QEq and ACKS2
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2022-04-04 10:24:54 -06:00 |
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d89ff310c1
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Merge pull request #3202 from lammps/fix-deform-doc-page-edit
Fix deform doc page edit
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2022-04-04 12:07:10 -04:00 |
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a0b15c2d04
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Merge pull request #3199 from lammps/misc
Misc changes
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2022-04-04 11:51:59 -04:00 |
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63a841e300
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doc page edit
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2022-04-04 08:59:40 -06:00 |
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3ed011dcfb
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whitespace
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2022-04-03 10:55:56 -04:00 |
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028beb8da4
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Merge branch 'develop' into misc
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2022-04-03 10:55:24 -04:00 |
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db00b49a50
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Merge pull request #3195 from weinbe2/feature/kk-reax-ang-tors-optim
kk/reax: Preprocessing optimizations to ComputeAngular,Torsion; Modularity/Memory improvements in BuildLists
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2022-04-03 09:52:08 -04:00 |
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e5a01026a7
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add unit tests for fix move
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2022-04-03 03:19:47 -04:00 |
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c9d0889f25
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add "transrot" style to fix move that allows to do translation and rotation at the same time
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2022-04-02 18:34:17 -04:00 |
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584b166823
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enable and apply clang-format
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2022-04-02 17:20:34 -04:00 |
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93c67a3c07
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make compute msd (and msd/nongauss) error out immediately when used with a dynamic group
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2022-04-02 17:13:30 -04:00 |
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8e838c1424
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Bug fix in vtk dump.
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2022-04-02 12:55:51 +01:00 |
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dab640220c
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Fix name to match code
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2022-04-01 12:48:58 -06:00 |
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ea9e3c0860
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Update fix ACKS2 docs
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2022-04-01 12:45:38 -06:00 |
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2f895d63a6
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Add missing variable assignment
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2022-04-01 12:32:24 -06:00 |
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335b78b4f2
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Add contributing author to list
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2022-03-31 15:27:05 -06:00 |
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4dc4d74056
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Add back in accidentally deleted call
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2022-03-31 13:10:22 -06:00 |
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ad4701f4f7
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Small tweaks
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2022-03-31 12:52:36 -06:00 |
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72874376f0
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Remove #ifdef
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2022-03-31 12:27:43 -06:00 |
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79fcf18013
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Remove #ifdef
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2022-03-31 12:25:58 -06:00 |
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14f54aae40
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Reax: Preprocessing optimizations to ComputeAngular,Torsion. Modularity boosts + memory reductions for BuildLists
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2022-03-30 08:23:41 -07:00 |
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b92d117524
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Merge pull request #3191 from akohlmey/collected-small-changes
Collected small changes and fixes
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2022-03-29 14:45:18 -04:00 |
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385b7a77e6
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Merge pull request #3193 from samueljmcameron/stable_fix_brownian_update
BROWNIAN package update
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2022-03-29 13:03:11 -04:00 |
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2a35ec2d85
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Merge pull request #3187 from stanmoore1/kk_opt_neighlist
Optimize Kokkos neigh list for GPUs
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2022-03-29 12:05:34 -04:00 |
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d9880273e3
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fix typo
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2022-03-29 11:54:34 -04:00 |
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b8c7a6153d
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whitespace
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2022-03-29 09:49:48 -04:00 |
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bfe361c576
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fix doc building issues
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2022-03-29 09:47:44 -04:00 |
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5ea526728e
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Merge branch 'develop' into stable_fix_brownian_update
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2022-03-29 08:26:11 -04:00 |
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88ff2db715
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cosmetic updates, print warnings only on MPI rank 0
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2022-03-29 08:23:18 -04:00 |
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6f1fac1c59
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Updated docs.
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2022-03-29 12:21:09 +01:00 |
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c28504961d
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remove references to the mailing list in the manual and replace with forum link, if needed
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2022-03-29 07:01:00 -04:00 |
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dcd6bea172
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one final fix in constructor of asphere.
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2022-03-29 11:22:21 +01:00 |
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27d2fab951
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simplify processing for "*" in filenames for embedding timestep by using utility function
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2022-03-29 06:06:48 -04:00 |
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da61b6871a
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Added in check for ellipsoid in brownian_asphere
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2022-03-29 10:46:05 +01:00 |
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0bebe6c428
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First commit, things not working though.
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2022-03-29 07:50:19 +01:00 |
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015257889d
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flag compatibility with VTK version 9
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2022-03-29 01:03:04 -04:00 |
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