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15394 Commits

Author SHA1 Message Date
Richard Berger 5edff5d970
Merge pull request #1095 from rbberger/cmake-add-core-tests 
Add core tests to CMake
 2018-09-04 16:28:26 -04:00
Richard Berger af4b2b9354 Add LAMMPS_TESTING_SOURCE_DIR and LAMMPS_TESTING_GIT_TAG options 2018-09-04 15:37:32 -04:00
Richard Berger 842136afc8 Add core tests to CMake 2018-09-04 12:12:49 -04:00
Axel Kohlmeyer 990f733d22
Merge pull request #1091 from akohlmey/less-compiler-warnings 
Collected diverse small changes
 2018-09-04 10:30:04 -04:00
Axel Kohlmeyer a6dfab6f27 recover some const'ness in Domain class, that was lost when merging MESSAGE package. fixes lib/atc compilation issue 2018-09-04 09:13:22 -04:00
Axel Kohlmeyer 1d3116d7c2 Merge branch 'master' into less-compiler-warnings 2018-09-04 08:59:12 -04:00
Richard Berger c9cf3fba8f
Merge pull request #1013 from lammps/cslib 
new MESSAGE package for client/server/coupling
 2018-09-04 08:29:15 -04:00
Axel Kohlmeyer 9e03bf7db9 make USER-DIFFRACTION input example fully consistent with output and remove additional input file 2018-09-01 19:12:46 -04:00
Richard Berger 754036462f
Merge pull request #1088 from junghans/pkgconfig_version 
liblammps.pc: add lammps version
 2018-09-01 11:40:56 -04:00
Steve Plimpton 5f0423b97d change -mpi to -mpicolor 2018-08-31 17:04:27 -06:00
Steve Plimpton a299a7fa28 Merge branch 'cslib' of github.com:lammps/lammps into cslib 2018-08-31 16:37:19 -06:00
Steve Plimpton 78301e5e93 Merge branch 'master' into cslib 2018-08-31 16:30:28 -06:00
Steve Plimpton f66ce801ad final testing 2018-08-31 16:21:45 -06:00
Steve Plimpton bc62002b1c units and doc changes 2018-08-31 16:05:24 -06:00
Christoph Junghans 41f0951d0c liblammps.pc: add lammps version 2018-08-31 10:09:03 -06:00
Steven J. Plimpton 8f5512eafe patch 31Aug18 2018-08-31 09:49:35 -06:00
Steve Plimpton 4f30842ac4
Merge pull request #1086 from junghans/find_lammps_cmake 
cmake: add FindLAMMPS.cmake.in
 2018-08-31 09:32:28 -06:00
Richard Berger b0f5400d52 Add utility function to determine LAMMPS version in CMake 2018-08-29 16:12:16 -04:00
Christoph Junghans db180209b3 FindLAMMPS.cmake: add LAMMPS_API_DEFINES 2018-08-29 13:20:25 -06:00
Christoph Junghans 47b8a116a6 liblammps.pc: fixed a typo 2018-08-29 13:20:04 -06:00
Axel Kohlmeyer 054abe280e squash some more compiler warnings 2018-08-29 14:55:36 -04:00
Christoph Junghans 499ffa198d cmake: change too generic LIB_SUFFIX to LAMMPS_LIB_SUFFIX 2018-08-29 11:31:28 -06:00
Christoph Junghans c5861307f6 cmake: add FindLAMMPS.cmake.in 2018-08-29 10:58:09 -06:00
Steve Plimpton 447a6c3373
Merge pull request #1085 from akohlmey/silence-user-cgsdk-warnings 
Silence  USER-CGSD warnings
 2018-08-29 07:50:11 -06:00
Steve Plimpton 40e7ea83a3
Merge pull request #1084 from rbberger/cmake-and-warning-suppression-bugs 
Fixes various compilation issues
 2018-08-29 07:49:52 -06:00
Steve Plimpton ed61ed5b56
Merge pull request #1082 from jrgissing/bond/react-competing-reactions 
Bond/react: treatment of simultaneous competing reactions
 2018-08-29 07:49:25 -06:00
Steve Plimpton a8f1fe8f96
Merge pull request #1078 from junghans/manpage 
added manpage from debian package
 2018-08-29 07:48:48 -06:00
Steve Plimpton c61f9248f4
Merge pull request #987 from sergeylishchuk/master 
Added Axilrod-Teller manybody potential
 2018-08-29 07:48:22 -06:00
Richard Berger 0860b9e674 Build cslib static or as shared 2018-08-29 07:52:16 -04:00
Richard Berger a7e9076bc0 Rename to libcsmpi/libcsnompi like in Makefile 2018-08-29 07:30:53 -04:00
Richard Berger 4c32a551bd Rename to libcs.a 2018-08-29 07:24:38 -04:00
Richard Berger 6ea33e3e89 Fix typo and use ZMQ stubs in CMake when necessary 2018-08-29 06:51:20 -04:00
Steven J. Plimpton 944574232e Merge branch 'cslib' of github.com:lammps/lammps into cslib 2018-08-28 17:09:24 -06:00
Steven J. Plimpton 83d453e78b updates to MD protocol and examples 2018-08-28 17:08:52 -06:00
Richard Berger 30d45e6773 Ensure MESSAGE files are added to CMake compilation 2018-08-28 15:22:43 -04:00
Axel Kohlmeyer 03654b2b7f rename define to better fit LAMMPS' logic 2018-08-28 15:19:07 -04:00
Axel Kohlmeyer eb850c5326 silence compiler warning about unused static function in shared include file 2018-08-28 15:17:31 -04:00
Richard Berger cb318f55e9 Add missing or lost cmake changes 2018-08-28 10:11:16 -04:00
Richard Berger a404da02d5 Use LMP_UNUSED_PARAM macro instead of existing workarounds 2018-08-27 22:36:38 -04:00
Richard Berger 71bc72ec13 formatting: add additional space to avoid bad syntax highlights 2018-08-27 22:13:43 -04:00
Richard Berger 02f131c544 Fix USER-OMP compilation with CMake 2018-08-27 22:11:15 -04:00
Richard Berger a103bd4de2 Correct compilation error introduced by #1077 2018-08-27 21:25:48 -04:00
Richard Berger aac238503b Add missing LMP_USER_OMP definition with CMake 2018-08-27 21:23:47 -04:00
Steve Plimpton a2ec8d3f21
Merge pull request #1083 from junghans/cmake_fix_potential_location 
cmake: fix install of potential files
 2018-08-27 17:15:47 -06:00
Steve Plimpton 62a1dcba55
Merge pull request #1081 from junghans/cmake_sort_packages 
cmake: sort package in header
 2018-08-27 17:15:17 -06:00
Steve Plimpton 41fff2979e
Merge pull request #1077 from dschwen/warnings_1076 
Fix compile warnings when building with pedantic flags
 2018-08-27 17:14:34 -06:00
Steven J. Plimpton 31ed3f7178 more changes to insure each triplet IJK computed exactly once 2018-08-27 17:09:59 -06:00
Richard Berger dbc0f0eea0 Ensure generated style headers are sorted 2018-08-27 12:17:57 -04:00
Christoph Junghans 5189bc4f4b cmake: fix install of potential files 
Add an '/' at the end avoids the double potentials/ subdir.
 2018-08-26 07:57:57 -06:00
jrgissing b05aa62c49 correctly exclude atoms from simultaneous competing reactions 2018-08-25 15:46:48 -06:00