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7e234497ff
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Merge pull request #953 from jrgissing/bond/react-update
Bond/react update
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2018-06-18 10:08:06 -06:00 |
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277b43b2fd
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Merge pull request #949 from jdevemy/master
Fix the tail correction with pair_nm
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2018-06-18 10:07:26 -06:00 |
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6f61ed2af5
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Merge pull request #938 from akohlmey/collected-bugfixes
Collected bugfixes and updates
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2018-06-18 10:06:55 -06:00 |
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16cc613993
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Merge pull request #920 from junghans/mscg
cmake: add DOWNLOAD_MSCG option
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2018-06-18 10:06:16 -06:00 |
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3750e0a427
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resolve newton setting and parallel disparities, improve syntax error catching
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2018-06-16 11:13:52 -06:00 |
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40c4461a78
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Merge pull request #17 from lammps/master
rebase
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2018-06-15 23:26:01 -06:00 |
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3411b0e576
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add more code owners
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2018-06-15 18:03:15 -04:00 |
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c4bcb7e73d
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mention requirement to come after the box creation in Restrictions section
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2018-06-15 17:52:54 -04:00 |
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18b543179c
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fix typo
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2018-06-15 17:47:23 -04:00 |
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14c4438a72
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update docs to reflect the state of reserving space for topology info with molecule files
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2018-06-15 17:46:09 -04:00 |
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acd20512f0
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require that box is defined before molecule command is issued
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2018-06-15 17:40:14 -04:00 |
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5fcdfe6dcb
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describe the use of wildcards for adapting ranges of bond types
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2018-06-15 17:35:43 -04:00 |
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fe483a769f
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update makefiles in lib/linalg to support .F files in addition to .f files
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2018-06-15 15:35:34 -04:00 |
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f312fbfe32
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update Install.py to use a specific numbered release version instead of master
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2018-06-15 15:16:10 -04:00 |
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479cc9424d
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C include
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2018-06-14 13:57:10 +02:00 |
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673202d05f
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Bugfix for pair_nm and tail correction
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2018-06-14 13:44:55 +02:00 |
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fcf9ed0fc2
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Merge pull request #946 from b-v/patch-1
Update README.md
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2018-06-13 13:01:15 -06:00 |
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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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12d8370ec5
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Update README.md
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2018-06-12 23:03:33 +01:00 |
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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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37268e435b
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Merge remote-tracking branch 'origin/master' into mscg
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2018-06-08 18:06:06 -06:00 |
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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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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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fa5ecf88a5
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change error->all to error->warning on pair style restartinfo bug
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2018-06-01 16:13:05 -04:00 |
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7ca794beb9
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whitespace cleanup
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2018-06-01 16:11:43 -04:00 |
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56c3a0be29
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support virtualenv on machines with python3 where it is called virtualenv-3
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2018-05-31 19:03:28 -04:00 |
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cf3095e938
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document restartinfo bug message, add check to Pair::write_restart as well
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2018-05-31 19:02:03 -04:00 |
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6056c1db4d
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fix restart bug in pair style quip
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2018-05-31 18:54:38 -04:00 |
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ef3c0dbf7b
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Merge branch 'molecule-template-validity-checks' of https://github.com/jrgissing/lammps into collected-bugfixes
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2018-05-31 16:30:25 -04:00 |
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4c18a07193
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Merge branch 'fix/adapt-wildcard-bondtypes' of https://github.com/jrgissing/lammps into collected-bugfixes
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2018-05-31 16:15:33 -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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95e259fe71
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also include consistent type checks
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2018-05-26 15:18:26 -06:00 |
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69a9f1bf94
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molecule templates sanity checks
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2018-05-26 15:03:24 -06:00 |
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e7773808a5
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Merge pull request #14 from lammps/master
rebase
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2018-05-26 14:38:13 -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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3ba87e52e9
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fix/adapt wildcard bondtypes
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2018-05-25 21:18:11 -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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