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16052 Commits

Author SHA1 Message Date
Axel Kohlmeyer c0ab126e77
Merge pull request #1223 from akohlmey/next-patch-release 
Patch release 27 November 2018
 2018-11-27 16:37:10 -05:00
Axel Kohlmeyer f254b8e3a3
Merge pull request #1226 from akohlmey/cmake-gpu-enhancements 
Enhancements for using CMake with the GPU package, improved compatibility with cmake 3.x versions, improved handling of shared library building.
 2018-11-27 16:05:47 -05:00
Axel Kohlmeyer ebacd5ca6b anti-nitpick hack 2018-11-27 14:36:59 -05:00
Axel Kohlmeyer 79fafcb12c passing build type specific compiler flags to building the voro++ library 2018-11-27 09:57:21 -05:00
Axel Kohlmeyer dbc798e286 correct passing flags to local voro++ build 2018-11-27 05:47:19 -05:00
Axel Kohlmeyer 6e8c537564
Merge pull request #1225 from akohlmey/last-minute-fixes 
Last minute fixes
 2018-11-26 22:56:44 -05:00
Axel Kohlmeyer d43f229162 do not warn about deprecated GPU target archs 2018-11-26 22:48:23 -05:00
Axel Kohlmeyer 00b138f542 verbose CUDA assembly processing is more distracting than helping 2018-11-26 22:45:54 -05:00
Axel Kohlmeyer 1fdfc89d25 make $HOME/.local the default LAMMPS installation destination 2018-11-26 22:27:21 -05:00
Axel Kohlmeyer d6ea31e143 implement changes suggested by @junghans for GPU/CUDA compilation 2018-11-26 22:06:10 -05:00
Axel Kohlmeyer 91b96fa0c9 build MESSAGE package client/server library always as static library 2018-11-26 21:37:23 -05:00
Axel Kohlmeyer c980dd0a56 remove stray endif() 2018-11-26 20:56:13 -05:00
Axel Kohlmeyer 3ad74985eb replace more inline expansions with explicit code. some general overhaul and better propagation of consistent compiler settings and flags for library builds 2018-11-26 20:53:23 -05:00
Axel Kohlmeyer aa0b9684dc remove inline expansion from two more cases (of external library builds) 2018-11-26 20:19:28 -05:00
Axel Kohlmeyer 05fb2d7587 more generated files/symlinks to ignore 2018-11-26 18:23:06 -05:00
Axel Kohlmeyer 5df2f92651 minor cleanup in lib/gpu 2018-11-26 18:22:33 -05:00
Axel Kohlmeyer 55359789fb improve docs for building the GPU library with CUDA and CMake/make with fat binaries 2018-11-26 18:13:50 -05:00
Axel Kohlmeyer e0ff230268 remove comment-in-comment 2018-11-26 17:03:48 -05:00
Axel Kohlmeyer b3975f4b14 reword a few options for clarity 2018-11-26 17:03:32 -05:00
Axel Kohlmeyer c61da28f0a allow building "fat" GPU binaries in CUDA mode, resulting in executables compatible with all GPUs supported by the used CUDA toolkit 2018-11-26 17:03:09 -05:00
Axel Kohlmeyer 1ddbd24a4e add missing include file 2018-11-26 15:45:23 -05:00
Axel Kohlmeyer 6745c37741
Merge pull request #1222 from lammps/doc-adjust3 
Some adjustments to the documentation for the per style listing pages
 2018-11-26 15:20:29 -05:00
Axel Kohlmeyer 4434481c91 remove trailing whitespace in manual source files 2018-11-26 14:48:53 -05:00
Axel Kohlmeyer c42d07d907 Merge branch 'master' into doc-adjust3 2018-11-26 14:47:29 -05:00
Axel Kohlmeyer 79b3e9e27d some clarifications and corrections on the wildcard command line docs 2018-11-26 14:46:39 -05:00
Axel Kohlmeyer cce874dfb4 step version number to 27 November 2018 2018-11-26 14:28:57 -05:00
Axel Kohlmeyer 4004b8f161
Merge pull request #1219 from akohlmey/fix-class2-write-coeff 
Handle class2 force field parameters correctly in write_coeff
 2018-11-26 14:23:26 -05:00
Axel Kohlmeyer 96b971875f
Merge pull request #1217 from akohlmey/more-small-changes 
More small changes and bug fixes for the next release
 2018-11-26 14:22:03 -05:00
Steve Plimpton bfaa2e9ee1 more adjustments to style pages 2018-11-26 11:24:48 -07:00
Steve Plimpton a010780808 merged in current master 2018-11-26 11:00:22 -07:00
Axel Kohlmeyer 32b3ff6cd7 remove tabs 2018-11-24 23:59:43 -05:00
Axel Kohlmeyer 179e84f282 replace dos/windows-style CR-LF line endings with unix style LF-only 2018-11-24 16:57:01 -05:00
Axel Kohlmeyer f50ff9a9e3 use C++ style include files in USER-PTM package consistently 2018-11-24 16:47:59 -05:00
Axel Kohlmeyer 5af7f52370 formatting tweak for labels, add checking item for added pair styles 2018-11-24 16:47:18 -05:00
Axel Kohlmeyer b76c7ddc84 correct some incorrect writedata and single_enable settings 2018-11-22 09:22:58 -05:00
Axel Kohlmeyer d1255ab572 we are LAMMPS, not LIGGGHTS 2018-11-22 09:22:09 -05:00
Axel Kohlmeyer 5efd8c06b1 correct formatting for examples when discussing the non-incremental nature of special_bonds 2018-11-22 06:25:39 -05:00
Axel Kohlmeyer 900ecc170a document that rcb balancing depends on comm_style tiled which in turn is not compatible with triclinic cells 2018-11-21 16:08:24 -05:00
Axel Kohlmeyer b1b6980d32 write_coeff needs to do special processing for class2 angles, dihedrals, and impropers 2018-11-21 15:46:41 -05:00
Axel Kohlmeyer 689334706f Merge branch 'more-small-changes' of github.com:akohlmey/lammps into more-small-changes 2018-11-21 09:24:21 -05:00
Axel Kohlmeyer a91d89b516 avoid array overflows and silence compiler warnings from unused parameters 2018-11-21 09:24:10 -05:00
Axel Kohlmeyer 385cf2e1fc avoid array overflows and silence compiler warnings 2018-11-20 22:40:46 -05:00
Axel Kohlmeyer 090fc7bc8a remove unused sphinx-images extension from virtualenv setup 2018-11-20 22:14:24 -05:00
Axel Kohlmeyer d359beb170
Merge pull request #1215 from jrgissing/bond/react-doc-corrections,mostly-formatting 
Bond/react doc corrections,mostly formatting
 2018-11-20 10:50:55 -05:00
Axel Kohlmeyer 719f719496
Merge pull request #1216 from bondrewd/charmm2lammps 
make topology parsing in charmm2lammps.pl more tolerant
 2018-11-20 10:35:52 -05:00
Axel Kohlmeyer 421f97e444
Merge pull request #1214 from akohlmey/collected-small-changes 
Collected small changes and many spelling fixes for next release candidate
 2018-11-20 10:34:58 -05:00
Axel Kohlmeyer 9f960baa4f restore USER-ATM package data files taken from CVS repo 2018-11-20 09:17:02 -05:00
Axel Kohlmeyer 981f56840e update workflow tips for checking new LAMMPS contributions 2018-11-20 00:30:45 -05:00
Axel Kohlmeyer 4c021dad37 port spell fixes to source code 2018-11-20 00:09:11 -05:00
Axel Kohlmeyer 4251c70e93 update list of false positives for spellchecking 2018-11-20 00:08:07 -05:00