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d237625d2a
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patch 22Jun18
patch_22Jun2018
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2018-06-22 14:08:09 -06:00 |
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510834cb7b
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Merge pull request #960 from lammps/latte-tweak
made latte.in compatible with v1.1.1 and updated log files
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2018-06-22 10:18:19 -06:00 |
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f5f73b0172
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Merge pull request #958 from ndtrung81/gpu-updates
Bug fixes and updates to the GPU package
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2018-06-22 08:52:20 -06:00 |
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f0a2c57401
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Merge pull request #959 from rbberger/cmake_documentation
Expand cmake documentation
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2018-06-21 13:57:48 -06:00 |
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4ca3d30db7
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Add BUILD_MPI and BUILD_OMP in cmake docs
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2018-06-21 14:45:00 -04:00 |
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cbfb751e92
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made latte.in compatible with v1.1.1 and updated log files
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2018-06-21 11:10:29 -06:00 |
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65c895721f
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Update README.md to reflect change ENABLE_* to PKG_*
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2018-06-21 12:32:46 -04:00 |
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bfacfc46be
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Add TOC to README.md
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2018-06-21 12:32:46 -04:00 |
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919d95d375
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Fill in package descriptions
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2018-06-21 12:32:46 -04:00 |
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258185690d
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Fixup GitHub markup version
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2018-06-21 12:32:46 -04:00 |
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cea0227f14
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Expand CMake build documentation
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2018-06-21 12:32:32 -04:00 |
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3e58ebea4f
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Merge pull request #957 from akohlmey/collected_small_fixes
Collected small changes and bugfixes for next patch release
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2018-06-21 08:49:18 -06:00 |
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7a22612bea
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Merge pull request #956 from cnegre/latte_examples
Added boxrel example and simplified latte.in
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2018-06-21 08:48:56 -06:00 |
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9805b5d34a
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Merge pull request #955 from junghans/fortran_linking
cmake: implicit fortran libs need to linked last
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2018-06-21 08:48:26 -06:00 |
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28504e91c0
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Added missing source files for born/coul/wolf/cs in the gpu library
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2018-06-20 15:08:24 -05:00 |
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47482afbc1
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add more thorough checks on parsing reaxff force field and signal when the lgvdw setting is correct.
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2018-06-20 15:47:32 -04:00 |
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7d3a549de9
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remove entries that are not compatible with lgvdw yes and not included in the publication
closes #876
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2018-06-20 14:16:34 -04:00 |
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a9b794b2ab
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Updates to the core-shell gpu pair styles
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2018-06-20 10:43:13 -05:00 |
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3ae8fdccd8
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Updated the kernels for born/coul/long/cs and coul/long/cs gpu styles
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2018-06-19 16:22:00 -05:00 |
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70a7b37614
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Updated pair coul/long/cs and born/coul/long/cs; updated gpu neighbor builds to support core-shell styles where r2 can be tiny.
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2018-06-19 15:50:02 -05:00 |
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036647c102
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correct sign of virial tally in fix smd. issue reported by Dinesh SD on lammps-users
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2018-06-19 16:19:37 -04:00 |
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37b901eadb
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Added boxrel example and simplified latte.in
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2018-06-19 11:12:28 -06:00 |
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5a3ef99272
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cmake: implicit fortran libs need to linked last
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2018-06-18 16:11:31 -06:00 |
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03a7d1cd5d
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Merge pull request #933 from rtoijala/fix_dt_reset_energy
Limit atom energy change in fix dt/reset
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2018-06-18 13:43:03 -06:00 |
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08331da93d
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Merge pull request #950 from martok/subst-equal-fmt
Add support for inline format strings to immediate variable substitution
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2018-06-18 13:42:24 -06:00 |
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ab0f3debeb
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Merge pull request #948 from martok/variable-string
Variable style 'string' substitutes variables in definition
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2018-06-18 10:50:36 -06:00 |
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fe14bfd1d2
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Merge pull request #951 from martok/meam-diaref-fix
Apply modifications to MEAM & MEAM/C as found by Kyung-Han Kang
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2018-06-18 10:29:57 -06:00 |
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d55c7039ee
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Merge pull request #943 from Pakketeretet2/improve-manifoldforce-warning
Improve fix manifoldforce warning
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2018-06-18 10:09:18 -06:00 |
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87dcef7115
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Merge pull request #952 from rbberger/coverage
Add code coverage target to CMake
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2018-06-18 10:08:31 -06:00 |
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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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6842a527e0
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Fixed bugs and added born/coul/long/cs/gpu and coul/long/cs/gpu, need tests
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2018-06-18 00:15:28 -05:00 |
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d094bf789c
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Updated GPU/Install.sh
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2018-06-17 11:50:41 -05:00 |
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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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d830fc2301
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Inline find_program() for gcovr
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2018-06-16 00:40:10 -04:00 |
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265b6c261e
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Fixed bugs with lj/expand/coul/long and its gpu version
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2018-06-15 23:38:37 -05:00 |
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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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47458f1ca0
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Add code coverage target to CMake
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2018-06-15 17:57:33 -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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7c9afc1be2
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change warning and move it do init() as discussed in PR #943
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2018-06-15 17:27:23 -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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f68c6dddb8
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Apply modifications to MEAM & MEAM/C as found by Kyung-Han Kang
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2018-06-15 12:33:38 +02:00 |
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