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20,216 Commits 9 Branches 198 Tags 1.1 GiB
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20216 Commits

Author SHA1 Message Date
Axel Kohlmeyer 398c030925
whitespace cleanup 2020-03-25 06:52:37 -04:00
Axel Kohlmeyer 3704d90efb
Merge branch 'master' into collected-small-fixes 2020-03-25 06:50:11 -04:00
Axel Kohlmeyer 91c1ae8077
Merge pull request #1962 from rbberger/small_fixes 
Small fixes
 2020-03-25 06:47:28 -04:00
Axel Kohlmeyer 9a25aae31f
Merge pull request #1958 from weinbe2/snap-mem-reduce 
SNAP optimizations - kernel fusion, memory reduction, misc perf improvements
 2020-03-24 19:20:09 -04:00
Richard Berger 431647d943 Add link to official WSL docs 2020-03-24 18:52:05 -04:00
Richard Berger 0f35c1d009 Update ubuntu package name to libpng-dev 2020-03-24 18:43:20 -04:00
Axel Kohlmeyer 0060473cee
fix up some escaped '*' characters in "code-block" sections that do not need to be escaped 2020-03-24 11:35:21 -04:00
Stan Moore 5fa99cb072 Comment cleanup 2020-03-23 21:33:11 -06:00
Evan Weinberg 387c2d0507 Cleaned up comment. 2020-03-23 23:31:12 -04:00
Stan Moore 36095bbfdf Tweak comment 2020-03-23 21:15:00 -06:00
Evan Weinberg bcfc606efb SNAP optimizations, kernel fusion, large reduction of memory usage on the GPU, misc. performance optimizations. 2020-03-23 13:20:56 -07:00
Richard Berger 6e1f18961c Convert characters to UTF-8 2020-03-23 09:42:46 -04:00
Axel Kohlmeyer 98bfbbd576
fix typo in CMake module 2020-03-22 22:21:12 -04:00
Axel Kohlmeyer e1f01d3e65
use consistent naming for c++11 style kspace thread 2020-03-22 21:14:26 -04:00
Axel Kohlmeyer 79b84c0847
more thorough checking if BUILD_OMP may be enabled by default. we need the OpenMP runtime, too. 2020-03-22 15:44:28 -04:00
Axel Kohlmeyer f560cd6dd5
make certain, the molecular flag is always initialized 2020-03-21 01:08:09 -04:00
Axel Kohlmeyer b533fdb31b
Merge pull request #1952 from lammps/numdiff-doc 
tweak the docs for the new fix numdiff command
 2020-03-20 21:36:03 -04:00
Steve Plimpton aabee4b328 one more change 2020-03-20 07:27:28 -06:00
Steve Plimpton 9ff71e2da0 fix a typo 2020-03-20 07:26:15 -06:00
Steve Plimpton 8b0e5c66ea tweak the docs for the new fix numdiff command 2020-03-20 07:23:01 -06:00
Axel Kohlmeyer 54c2381632
Merge pull request #1947 from akohlmey/next_lammps_version 
Step version string for next patch release
 2020-03-19 18:57:27 -04:00
Axel Kohlmeyer 68dc62c512
Merge pull request #1932 from akohlmey/atc-doc-to-rst 
Convert AtC documentation html files to reStructuredText
 2020-03-19 17:04:35 -04:00
Axel Kohlmeyer 9cfa5506fd
flags may be empty, compiler never, if used 2020-03-19 16:46:46 -04:00
Axel Kohlmeyer 9397a763e2
tweak MinGW preset settings to reduce linker warnings 2020-03-19 16:45:22 -04:00
Axel Kohlmeyer 87ac0dc547
Merge commit 'refs/pull/1950/head' of github.com:lammps/lammps into atc-doc-to-rst 2020-03-19 16:08:18 -04:00
Axel Kohlmeyer a7f16f521f
Merge branch 'master' into atc-doc-to-rst 2020-03-19 15:55:08 -04:00
Axel Kohlmeyer fb9b5c6dd0
remove command copying (the now removed) doc/src/USER into some output folders 2020-03-19 15:55:05 -04:00
Christoph Junghans a541434e0a cmake: remove hard-coded liblinalg 2020-03-19 13:49:13 -06:00
Axel Kohlmeyer 6644caf817
fix rst formatting issues 2020-03-19 15:48:46 -04:00
Axel Kohlmeyer 223bfac229
remove ATC html files that are no longer needed 2020-03-19 15:44:53 -04:00
Axel Kohlmeyer a6adf95603
final batch of converted AtC doc files 2020-03-19 15:36:45 -04:00
Axel Kohlmeyer 53883ec077
Merge branch 'atc-doc-to-rst' of github.com:akohlmey/lammps into atc-doc-to-rst 2020-03-19 14:39:15 -04:00
Axel Kohlmeyer 65b6b6f2f8
next batch of converted files 2020-03-19 14:39:00 -04:00
Axel Kohlmeyer 500982ac9c
Merge pull request #1949 from akohlmey/cmake-mingw-portability 
Improved CMake support for cross-compilation with MinGW
 2020-03-19 13:54:17 -04:00
Axel Kohlmeyer 61ebf897e4
expand comment about MinGW cross-compiler hack 2020-03-19 13:31:23 -04:00
Axel Kohlmeyer 55b5753eea
next batch of converted files. one more section to go. 2020-03-19 12:22:06 -04:00
Axel Kohlmeyer 84f89134d9
Merge branch 'master' into atc-doc-to-rst 
# Conflicts:
#	doc/src/Errors_messages.rst
 2020-03-19 11:28:02 -04:00
Axel Kohlmeyer 23509d0785
add missing entries for new pair styles 2020-03-19 11:09:41 -04:00
Axel Kohlmeyer 3d0fc4a112
update docs for updated CMake support with MinGW 2020-03-19 11:09:27 -04:00
Axel Kohlmeyer 38edf20d08
add CMake support for building LAMMPS for windows with MPI 
- Handle the MPI support as an External project.
- Also we can enable a few more packages now, that depend on MPI
- Improved dependency tracking for parallel builds
- cross compiler build can now also work with ninja
 2020-03-19 10:46:42 -04:00
Axel Kohlmeyer b1af0a5bd8
add workaround in CMake support for building with MinGW cross-compilers 2020-03-19 09:00:36 -04:00
Axel Kohlmeyer 3bd529342e
cross-compilation improvements 2020-03-19 09:00:36 -04:00
Axel Kohlmeyer 5fbb1fa331
small tweak to MinGW preset and correct corresponding entry in documentation 2020-03-19 09:00:36 -04:00
Axel Kohlmeyer 6c4a5a95e8
Merge pull request #1862 from akohlmey/restart-consistency 
Add support to detect incomplete restart files and insufficient diskspace conditions
 2020-03-19 08:51:57 -04:00
Axel Kohlmeyer 42cff9270c
Merge branch 'master' into restart-consistency 2020-03-19 05:32:45 -04:00
Axel Kohlmeyer 245e200c48
Merge pull request #1945 from akohlmey/collected-small-changes 
Collected small changes
 2020-03-19 05:31:22 -04:00
Axel Kohlmeyer b40bc3993d
Merge branch 'master' into restart-consistency 2020-03-19 00:54:04 -04:00
Axel Kohlmeyer 53bc791b52
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes 2020-03-19 00:51:30 -04:00
Axel Kohlmeyer 1fd956a696
fix bug when allocating and freeing newly added data structures 2020-03-19 00:51:14 -04:00
Axel Kohlmeyer 9825cd2569
silence compiler warnings 2020-03-19 00:50:30 -04:00