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dc1e31506e
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Merge pull request #1480 from akohlmey/next_version
Step version string for next release
patch_31May2019
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2019-05-31 14:40:13 -04:00 |
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68d69955d0
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fix off-by-one error
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2019-05-31 14:38:12 -04:00 |
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5f657b9184
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step version string for next release
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2019-05-31 14:37:31 -04:00 |
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3e4fd3dade
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Merge pull request #1484 from akohlmey/reneighbor-64-bit-restart-fix
Restart updates for fixes atom/swap, deposit, and gcmc
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2019-05-31 13:05:53 -04:00 |
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3e05b983c1
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Merge pull request #1483 from akohlmey/cmake-workaround-for-gcc-9
Do not enable OpenMP by default for gcc 9.x with CMake
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2019-05-31 13:05:37 -04:00 |
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d8a30a9697
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Merge pull request #1475 from akohlmey/collected-small-changes
Collected small changes for stable release
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2019-05-31 13:05:21 -04:00 |
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8b169d97f5
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update documentation for updates to fix restarting
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2019-05-31 00:58:10 -04:00 |
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f73c848ee4
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detect and error out when timestep was reset when restarting fixes atom/swap, gcmc, or deposit
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2019-05-31 00:31:36 -04:00 |
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4243af30d7
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properly store 64-bit integers for next_reneighbor into double type buffers for restarts of fixes
also store number of attemps and number of successes in restart and retrieve those from it
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2019-05-31 00:23:12 -04:00 |
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9d51ee17b0
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change the default for gcc 9.x and beyond to not enable OpenMP by default even if it is found to be supported
this is so that using CMake by default will compile LAMMPS, since gcc 9.x
expects different sharing semantics for constants than previous versions.
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2019-05-30 22:23:50 -04:00 |
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c903a110fe
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fix typo
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2019-05-30 18:36:09 -04:00 |
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02e7dd5716
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also allow %e in format variables of suffix
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2019-05-30 14:52:26 -04:00 |
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1a5c3c6dcb
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add check that allows only %f and %g conversions in variable format strings
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2019-05-30 14:46:07 -04:00 |
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daac3f7102
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Merge pull request #1419 from akohlmey/report-uninstalled-pkg-style
Improved error messages when a style is not found
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2019-05-30 06:34:56 -04:00 |
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3bf0a4ba63
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Merge pull request #1474 from stanmoore1/nl_mem
Don't reallocate views every time in neigh_bond_kokkos
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2019-05-30 06:30:54 -04:00 |
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9cc16c4f33
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Merge pull request #1479 from akohlmey/fixup_pair_quip
Correctly and fully support pair style hybrid and hybrid/overlay for pair style quip
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2019-05-30 06:30:10 -04:00 |
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8dcd6fc48c
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provide alternative to gettimeofday() for MSVC compilation
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2019-05-29 20:13:26 -04:00 |
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a48f1cbf00
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fix spelling error
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2019-05-29 20:07:00 -04:00 |
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d3cbccff35
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whitespace cleanup
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2019-05-29 14:42:18 -04:00 |
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29d36ffec0
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error out when not using metal units with QUIP
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2019-05-29 14:40:09 -04:00 |
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fec2f8f69b
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update docs for fully supporting hybrid styles
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2019-05-29 14:39:45 -04:00 |
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c0cfceb95c
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fix off-by-one errors
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2019-05-29 14:03:00 -04:00 |
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12fcf5f5ef
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properly set up pair style quip for hybrid and hybrid/overlay
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2019-05-29 14:00:33 -04:00 |
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cb8d89855d
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remove limitation to hybrid/overlay
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2019-05-29 13:59:51 -04:00 |
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c8d50c04a4
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avoid memory leak and initialize class member pointers
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2019-05-29 10:12:24 -04:00 |
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e82e1c695a
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correct links in package documentation
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2019-05-24 19:45:48 -04:00 |
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2ee02cfadd
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Don't reallocate views every time in neigh_bond_kokkos
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2019-05-24 11:27:09 -06:00 |
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cfad0634ac
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Merge pull request #1465 from akohlmey/collected-minor-changes
Collected small changes and bugfixes
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2019-05-21 16:55:19 -04:00 |
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bd05228c71
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Merge pull request #1464 from akohlmey/group-group-coord-num
Add option to restrict coordination number by group
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2019-05-21 16:55:05 -04:00 |
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0f1e4b0504
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Merge pull request #1467 from stanmoore1/eam_kk
Fix bug in pair_style eam/alloy/kk and pair_style eam/fs/kk
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2019-05-21 16:54:51 -04:00 |
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d0c6484fb0
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add false positive
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2019-05-20 15:15:51 -04:00 |
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0349e9fee9
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update/correct list of example folders
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2019-05-20 15:08:33 -04:00 |
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55116db8fb
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avoid segfault and print more meaningful error message with empty lines in coeff sections
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2019-05-20 14:15:04 -04:00 |
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1041934568
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Fix bug in pair_eam_alloy_kokkos and pair_eam_fs_kokkos
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2019-05-20 10:01:40 -06:00 |
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50082c287d
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sphinxcontrib-spelling has been updated for Sphinx 2.x. remove enforcing to use old version
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2019-05-18 15:41:38 -04:00 |
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e3823a521c
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remove leftover references to removed MEAM package
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2019-05-18 15:36:13 -04:00 |
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35bb2ac2a3
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fix typo
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2019-05-18 09:25:20 -04:00 |
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c7eb9a8626
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there really isn't a problem with calling this compute multiple times
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2019-05-17 15:26:35 -04:00 |
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fb8d31422d
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fix typo
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2019-05-16 09:06:17 -04:00 |
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27a2d0cbd4
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add option to restrict coordination number by group
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2019-05-16 08:55:03 -04:00 |
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7b264d35fa
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remove dead code
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2019-05-15 14:53:51 -04:00 |
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267782d689
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Merge pull request #1459 from akohlmey/next-patch-release
Step version string for next patch release
patch_15May2019
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2019-05-14 21:30:28 -04:00 |
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f2b293d93b
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Merge pull request #1460 from akohlmey/collected-small-changes
Some more small changes
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2019-05-14 17:55:36 -04:00 |
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6e842ba84a
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fix typo
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2019-05-14 17:36:26 -04:00 |
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30dc7f70b5
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correct repeated words in docs
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2019-05-14 17:13:46 -04:00 |
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98702cc0b9
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Merge pull request #1461 from lammps/doc-tweak-hyper
add missing formatting info
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2019-05-14 17:10:23 -04:00 |
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67532684f9
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add missing formatting info
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2019-05-14 14:02:54 -06:00 |
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2c51511325
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update logfiles for SPIN package with cubic anisotropy
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2019-05-14 15:49:41 -04:00 |
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1d5ada136a
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should set one_coeff flag to 1 in potentials requiring 'pair_coeff * *'
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2019-05-14 15:24:37 -04:00 |
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4a4dcef7b7
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whitespace cleanup in pair style e3b
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2019-05-14 15:24:37 -04:00 |
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