Jacob Gissinger
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0af80bbbe0
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Merge pull request #24 from lammps/master
rebase
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2018-09-03 21:44:22 -06:00 |
Axel Kohlmeyer
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f6f4b58167
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add parallel reference output
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2018-09-03 23:42:52 -04:00 |
Axel Kohlmeyer
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7b423c6d4b
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integrate USER-MOP package into build and documentat system. apply latest LAMMPS programming style conventions
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2018-09-03 23:37:25 -04:00 |
RomainVermorel
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ba4ff7744b
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new USER-MOP package submitted
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2018-09-03 16:26:36 +02:00 |
Axel Kohlmeyer
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9e03bf7db9
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make USER-DIFFRACTION input example fully consistent with output and remove additional input file
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2018-09-01 19:12:46 -04:00 |
Richard Berger
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754036462f
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Merge pull request #1088 from junghans/pkgconfig_version
liblammps.pc: add lammps version
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2018-09-01 11:40:56 -04:00 |
Steve Plimpton
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5f0423b97d
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change -mpi to -mpicolor
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2018-08-31 17:04:27 -06:00 |
Steve Plimpton
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a299a7fa28
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Merge branch 'cslib' of github.com:lammps/lammps into cslib
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2018-08-31 16:37:19 -06:00 |
Steve Plimpton
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78301e5e93
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Merge branch 'master' into cslib
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2018-08-31 16:30:28 -06:00 |
Steve Plimpton
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f66ce801ad
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final testing
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2018-08-31 16:21:45 -06:00 |
Steve Plimpton
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bc62002b1c
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units and doc changes
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2018-08-31 16:05:24 -06:00 |
Steve Plimpton
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a989d04d09
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think this flag should not be set by this fix
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2018-08-31 14:17:36 -06:00 |
Steve Plimpton
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e3ce702eec
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doc adjust
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2018-08-31 13:53:02 -06:00 |
Steven J. Plimpton
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c4c5f9a32e
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2 new computes: chunk/spread/atom and reduce/chunk
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2018-08-31 13:44:49 -06:00 |
Christoph Junghans
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41f0951d0c
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liblammps.pc: add lammps version
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2018-08-31 10:09:03 -06:00 |
Steven J. Plimpton
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8f5512eafe
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patch 31Aug18
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2018-08-31 09:49:35 -06:00 |
Steve Plimpton
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4f30842ac4
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Merge pull request #1086 from junghans/find_lammps_cmake
cmake: add FindLAMMPS.cmake.in
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2018-08-31 09:32:28 -06:00 |
Stefan Paquay
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3f07adb765
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Merge branch 'master' of https://www.github.com/lammps/lammps into port-enforce2d-kokkos
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2018-08-30 11:53:05 -04:00 |
Richard Berger
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b0f5400d52
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Add utility function to determine LAMMPS version in CMake
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2018-08-29 16:12:16 -04:00 |
Christoph Junghans
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db180209b3
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FindLAMMPS.cmake: add LAMMPS_API_DEFINES
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2018-08-29 13:20:25 -06:00 |
Christoph Junghans
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47b8a116a6
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liblammps.pc: fixed a typo
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2018-08-29 13:20:04 -06:00 |
Axel Kohlmeyer
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054abe280e
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squash some more compiler warnings
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2018-08-29 14:55:36 -04:00 |
Christoph Junghans
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499ffa198d
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cmake: change too generic LIB_SUFFIX to LAMMPS_LIB_SUFFIX
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2018-08-29 11:31:28 -06:00 |
Christoph Junghans
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c5861307f6
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cmake: add FindLAMMPS.cmake.in
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2018-08-29 10:58:09 -06:00 |
Steve Plimpton
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447a6c3373
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Merge pull request #1085 from akohlmey/silence-user-cgsdk-warnings
Silence USER-CGSD warnings
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2018-08-29 07:50:11 -06:00 |
Steve Plimpton
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40e7ea83a3
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Merge pull request #1084 from rbberger/cmake-and-warning-suppression-bugs
Fixes various compilation issues
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2018-08-29 07:49:52 -06:00 |
Steve Plimpton
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ed61ed5b56
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Merge pull request #1082 from jrgissing/bond/react-competing-reactions
Bond/react: treatment of simultaneous competing reactions
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2018-08-29 07:49:25 -06:00 |
Steve Plimpton
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a8f1fe8f96
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Merge pull request #1078 from junghans/manpage
added manpage from debian package
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2018-08-29 07:48:48 -06:00 |
Steve Plimpton
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c61f9248f4
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Merge pull request #987 from sergeylishchuk/master
Added Axilrod-Teller manybody potential
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2018-08-29 07:48:22 -06:00 |
Richard Berger
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0860b9e674
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Build cslib static or as shared
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2018-08-29 07:52:16 -04:00 |
Richard Berger
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a7e9076bc0
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Rename to libcsmpi/libcsnompi like in Makefile
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2018-08-29 07:30:53 -04:00 |
Richard Berger
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4c32a551bd
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Rename to libcs.a
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2018-08-29 07:24:38 -04:00 |
Richard Berger
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6ea33e3e89
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Fix typo and use ZMQ stubs in CMake when necessary
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2018-08-29 06:51:20 -04:00 |
Steven J. Plimpton
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944574232e
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Merge branch 'cslib' of github.com:lammps/lammps into cslib
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2018-08-28 17:09:24 -06:00 |
Steven J. Plimpton
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83d453e78b
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updates to MD protocol and examples
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2018-08-28 17:08:52 -06:00 |
Richard Berger
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30d45e6773
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Ensure MESSAGE files are added to CMake compilation
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2018-08-28 15:22:43 -04:00 |
Axel Kohlmeyer
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03654b2b7f
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rename define to better fit LAMMPS' logic
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2018-08-28 15:19:07 -04:00 |
Axel Kohlmeyer
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eb850c5326
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silence compiler warning about unused static function in shared include file
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2018-08-28 15:17:31 -04:00 |
Richard Berger
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cb318f55e9
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Add missing or lost cmake changes
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2018-08-28 10:11:16 -04:00 |
Richard Berger
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a404da02d5
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Use LMP_UNUSED_PARAM macro instead of existing workarounds
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2018-08-27 22:36:38 -04:00 |
Richard Berger
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71bc72ec13
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formatting: add additional space to avoid bad syntax highlights
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2018-08-27 22:13:43 -04:00 |
Richard Berger
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02f131c544
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Fix USER-OMP compilation with CMake
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2018-08-27 22:11:15 -04:00 |
Richard Berger
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a103bd4de2
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Correct compilation error introduced by #1077
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2018-08-27 21:25:48 -04:00 |
Richard Berger
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aac238503b
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Add missing LMP_USER_OMP definition with CMake
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2018-08-27 21:23:47 -04:00 |
Steve Plimpton
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a2ec8d3f21
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Merge pull request #1083 from junghans/cmake_fix_potential_location
cmake: fix install of potential files
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2018-08-27 17:15:47 -06:00 |
Steve Plimpton
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62a1dcba55
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Merge pull request #1081 from junghans/cmake_sort_packages
cmake: sort package in header
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2018-08-27 17:15:17 -06:00 |
Steve Plimpton
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41fff2979e
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Merge pull request #1077 from dschwen/warnings_1076
Fix compile warnings when building with pedantic flags
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2018-08-27 17:14:34 -06:00 |
Steven J. Plimpton
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31ed3f7178
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more changes to insure each triplet IJK computed exactly once
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2018-08-27 17:09:59 -06:00 |
Richard Berger
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dbc0f0eea0
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Ensure generated style headers are sorted
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2018-08-27 12:17:57 -04:00 |
Christoph Junghans
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5189bc4f4b
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cmake: fix install of potential files
Add an '/' at the end avoids the double potentials/ subdir.
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2018-08-26 07:57:57 -06:00 |