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e08ccd0a7c
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Forgot to include change in fix_enforce2d to access fixlist in kokkos port.
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2018-06-29 11:58:27 -04:00 |
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14c4aea32d
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Merge branch 'master' into port-enforce2d-kokkos
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2018-06-13 14:59:07 -04:00 |
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666a13ea8a
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Merge branch 'master' of https://www.github.com/lammps/lammps
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2018-06-13 14:58:58 -04:00 |
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661848139c
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Merge pull request #926 from ndtrung81/gpu-updates
some updates to the GPU package
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2018-06-13 12:57:01 -06:00 |
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3c781afa6c
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Switched to standard C++ header files for pair lj/expand/coul/long in USER-MISC
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2018-06-09 09:41:03 -05:00 |
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29e555213c
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Merge pull request #924 from junghans/cmake_misc
miscellaneous CMake Fixes
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2018-06-08 17:34:58 -06:00 |
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965ac3cedd
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cmake: lower cmake requirement to 2.8.12
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2018-06-08 16:18:02 -06:00 |
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30e3e9ab88
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cmake: simplify Fortran linkage
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2018-06-08 16:14:28 -06:00 |
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6cb0c2e9c5
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Merge pull request #937 from stanmoore1/kk_bonds
Fix issues in Kokkos topology files
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2018-06-08 15:42:40 -06:00 |
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ebd93cac69
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Merge pull request #930 from stanmoore1/kk_update
Update Kokkos library to v2.7.00
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2018-06-08 15:42:05 -06:00 |
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142de878f9
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Kokkos doesn't yet support map_style hash, so use may_style array by default if Kokkos is enabled
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2018-06-08 09:38:16 -06:00 |
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4bf9a93c11
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Removed x dependency from enforce2d_kokkos.
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2018-06-06 10:47:07 -04:00 |
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824a21a661
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Removed debug printing from setup.
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2018-06-04 12:28:06 -04:00 |
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5a383aa518
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Reverted fix nve/manifold/rattle to upstream.
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2018-06-04 12:26:26 -04:00 |
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a4a3133b76
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Switched to standard C++ header files for consistency with other source files
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2018-06-01 23:13:49 -05:00 |
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0e96918313
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Made enforce2d_kokkos actually set data masks.
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2018-06-01 17:22:25 -04:00 |
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031077b4fa
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Made enforce2d also set rotations to in-plane.
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2018-06-01 17:19:53 -04:00 |
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962946ee45
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Ported fix enforce2d to Kokkos.
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2018-06-01 14:52:34 -04:00 |
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1ee85e59c3
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Removed obsolete changes to fix_nve-manifold_rattle
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2018-06-01 14:50:41 -04:00 |
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c386bdddf9
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Merge branch 'master' of https://www.github.com/lammps/lammps
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2018-06-01 10:44:11 -04:00 |
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e3e040227b
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Fix issues in Kokkos topology files
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2018-05-30 12:31:20 -06:00 |
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c27e617fd8
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Add logic to Makefile.kokkos
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2018-05-29 11:33:18 -06:00 |
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0368202d12
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Merge pull request #929 from stanmoore1/snap_fix
Small bugfixes for Pair Snap
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2018-05-26 14:07:19 -06:00 |
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1422b0413b
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Update Kokkos library to v2.7.00
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2018-05-25 15:00:53 -06:00 |
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18c6d7f289
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Fix possible MPI deadlock in pair_snap
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2018-05-24 15:31:49 -06:00 |
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1b4068b575
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Restore workaround for compiler bug in pair_snap.h
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2018-05-24 15:31:22 -06:00 |
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341fa160fe
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Updated UCL_Device built with OpenCL to use platforms that support accelerators by default
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2018-05-23 16:11:55 -05:00 |
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6c42c9b378
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Add missing OCL_TUNE define to CMake build
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2018-05-22 20:21:58 -04:00 |
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ce4a446cea
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Merge pull request #911 from akohlmey/collected-small-changes
Collected small changes and bugfixes
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2018-05-22 10:11:12 -06:00 |
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933cf92e36
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Merge pull request #923 from akohlmey/remove-register
Remove deprecated 'register' keyword
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2018-05-22 10:02:32 -06:00 |
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69903cb4aa
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Merge pull request #921 from lammps/doctweaks
tweaks to doc pages
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2018-05-22 10:02:01 -06:00 |
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ad5cfb5ae6
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Switched member variables from private to protected for lj/cut/dipole/long
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2018-05-22 09:55:16 -05:00 |
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2f9e6d4566
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Fixed bugs in lal_device.cpp with node_names dynamically allocated and dipole/long/gpu
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2018-05-21 23:32:25 -05:00 |
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4ec31564fe
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fix preprocessor directive bug in lib/atc
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2018-05-21 16:50:16 -04:00 |
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f5b7419108
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fix typo reported in #915
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2018-05-21 16:49:00 -04:00 |
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1f193e02e0
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update to c++ style include header syntax
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2018-05-21 16:49:00 -04:00 |
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838a1938bb
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Added pair styles lj/expand/coul/long to USER-MISC and its gpu version to GPU package, added lj/cut/dipole/long/gpu; and added an example Makfile to build GPU package for multi-arch
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2018-05-20 17:03:12 -05:00 |
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df3eb36519
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cmake: KOKKOS enables C++-11 internally
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2018-05-20 08:22:20 -06:00 |
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bb6dcb8ebd
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cmake: make CORESHELL depend on KSPACE
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2018-05-20 07:54:00 -06:00 |
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e6f76451eb
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cmake: fix pkg_depend macro
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2018-05-20 07:27:22 -06:00 |
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cfb350d40b
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cmake: QMMM and H5MD need C
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2018-05-19 11:07:19 -06:00 |
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5daf1fe0d4
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remove deprecated 'register' keyword. closes #922
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2018-05-18 17:43:18 -04:00 |
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cab602045e
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tweaks to doc pages
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2018-05-18 08:37:29 -06:00 |
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e1361a9dca
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Merge branch 'master' of https://www.github.com/lammps/lammps
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2018-05-17 10:42:18 -04:00 |
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94c6d2d546
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Merge pull request #918 from stanmoore1/kk_atomics
Fix performance regression in KOKKOS package
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2018-05-16 16:46:02 -06:00 |
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585a164e78
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Merge pull request #901 from timattox/bugfix_atom_vec_dpd
USER-DPD: bugfix for AtomVecDPD::unpack_restart() and the Kokkos version
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2018-05-16 16:45:35 -06:00 |
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5a4a7cebc1
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Fix performance regression in KOKKOS package
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2018-05-16 16:12:05 -06:00 |
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133f0922b3
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Merge branch 'master' of https://www.github.com/lammps/lammps
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2018-05-15 12:58:40 -04:00 |
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1a88ffd5ab
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Updated fix_nve_manifold_rattle.cpp
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2018-05-15 12:58:32 -04:00 |
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307e471456
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Merge pull request #914 from jrgissing/bond-react-restart
smooth restarts with bond/react
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2018-05-14 16:16:58 -06:00 |
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