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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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b2e6863d93
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add reference log file.
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2018-06-15 17:01:26 -04:00 |
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cb887d48a1
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include compute pentropy/atom in src/USER-MISC/README
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2018-06-15 16:55:05 -04:00 |
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9ef1bfe814
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whitespace cleanup
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2018-06-15 16:44:07 -04:00 |
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76b85e4d25
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rename source files for compute pentropy/atom to match the command name
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2018-06-15 16:43:19 -04:00 |
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8a2faff541
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integrate compute pentropy/atom into the documentation tree
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2018-06-15 16:40:25 -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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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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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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3e79296dcf
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Variable style 'string' substitutes variables in definition
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2018-06-14 13:10:08 +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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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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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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a2dd21dca5
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Made statement in if have equal whitespace on either side.
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2018-06-08 15:15:37 -04:00 |
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e78ed7d044
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Improved the warning message of fix_manifoldforce about incompatible min_style.
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2018-06-08 15:11:59 -04:00 |
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