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c5b51df06e
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Add support for inline format strings to immediate variable substitution
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2018-06-14 14:17:37 +02:00 |
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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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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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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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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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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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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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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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f5d66e74c5
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Merge pull request #913 from jrgissing/bond/react-doc-reformat
Bond/react doc reformat
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2018-05-14 16:16:46 -06:00 |
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bebf25dcb3
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Merge pull request #912 from ellio167/kim-update
Update to kim-api-v1.9.5
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2018-05-14 16:16:18 -06:00 |
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3f316f71ef
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Merge pull request #910 from junghans/cmake_intel
USER-INTEL: enforce icc and add icc flags
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2018-05-14 16:15:50 -06:00 |
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8303d1a375
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allow smooth restarts
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2018-05-13 22:49:54 -06:00 |
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363d8ef775
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tweaks1
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2018-05-13 15:45:43 -06:00 |
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a449488b1d
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simplify
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2018-05-13 12:14:15 -06:00 |
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e076d08ee9
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correctly render doc page
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2018-05-12 14:17:29 -06:00 |
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1a5144bf37
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Merge pull request #13 from lammps/master
rebase
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2018-05-12 12:59:57 -06:00 |
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ca6920be72
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Merge pull request #907 from akohlmey/dump_maxfile
Implement 'dump_modify maxfiles' feature
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2018-05-12 12:59:33 -06:00 |
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55d8cc0341
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cmake: add DOWNLOAD_KIM option
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2018-05-12 09:48:15 -06:00 |
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6b73e29f64
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cmake: update kim to v1.9.5
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2018-05-12 09:43:13 -06:00 |
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09046ad3f7
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Update to kim-api-v1.9.5
Fixes the 'everything' option
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2018-05-12 10:08:09 -05:00 |
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06c18dd36c
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cmake: make CMAKE_VERBOSE_MAKEFILE option visible
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2018-05-11 17:50:50 -06:00 |
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55bd823339
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cmake: fix icc versioning
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2018-05-11 17:48:31 -06:00 |
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77e04a9213
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Merge branch 'dump_maxfile' of github.com:akohlmey/lammps into dump_maxfile
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2018-05-11 18:04:06 -04:00 |
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233f03ea8e
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windows portability bugfix
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2018-05-11 18:03:49 -04:00 |
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f65b06de0e
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dump_modify maxfiles tweak
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2018-05-11 15:54:16 -06:00 |
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0f32d603b5
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tweaks to dump_modify maxfiles doc page
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2018-05-11 15:52:18 -06:00 |
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3440b1a2a7
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Merge pull request #909 from lammps/tablecut
new dihedral table/cut command
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2018-05-11 15:41:52 -06:00 |
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8952b1107c
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cmake: add user overwrite for USER-INTEL
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2018-05-11 15:33:18 -06:00 |
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b3b3c225e8
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cmake: check that USER-INTEL flags actually work
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2018-05-11 15:32:32 -06:00 |
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