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15255 Commits

Author SHA1 Message Date
Daniel Schwen 9388ed8cd0 Add build files and clang-format config to gitignore (#1076) 2018-08-23 09:25:20 -06:00
Daniel Schwen dd923edf15 Fix unused parameters in memory.h (#1076) 2018-08-23 09:20:02 -06:00
Steven J. Plimpton b47e492233 patch 22Aug18 2018-08-22 08:45:41 -06:00
Steve Plimpton bb72604eec
Merge pull request #1071 from akohlmey/doc-updates-for-release 
Doc updates for release
 2018-08-22 08:37:44 -06:00
Steve Plimpton 316f265e3d
Merge pull request #1067 from jrgissing/bond/react-better-template-checks 
Bond/react: better template validity checks
 2018-08-22 08:36:44 -06:00
Steve Plimpton 25bc74eb21
Merge pull request #1070 from rbberger/pylammps_mpi_bugfix 
Fixes issue #1069
 2018-08-22 08:35:52 -06:00
Richard Berger 9d4994b383 Add missing bullet points 2018-08-22 10:08:56 -04:00
Axel Kohlmeyer fc47b8c6dd some more tweaks and epxlanations for windows support 2018-08-22 09:51:29 -04:00
Axel Kohlmeyer c4bda59f9a make the statement, that the group id is ignored more visible 2018-08-22 09:41:29 -04:00
Axel Kohlmeyer 87afaa44fd add notes on compiling LAMMPS for windows 2018-08-22 09:41:12 -04:00
jrgissing 2baa0b3452 nasty little bug 2018-08-22 03:32:17 -06:00
jrgissing fd0b041e0e remove debugging comments 2018-08-21 21:10:34 -06:00
Steve Plimpton c0150e80e9
Merge pull request #1068 from lammps/junghans-patch-1 
cmake/README.md: add BUILD_EXE option
 2018-08-21 13:24:15 -06:00
Richard Berger 4b0382cadd Fixes issue #1069 2018-08-21 14:45:01 -04:00
Christoph Junghans fd788e5bbd
cmake/README.md: add BUILD_EXE option 2018-08-21 09:25:06 -06:00
Steve Plimpton ee3b7a67a0
Merge pull request #1066 from rbberger/doc-fixes 
minor tweak to docs
 2018-08-21 08:01:30 -06:00
Axel Kohlmeyer 2b5618dc40
Updates for Speed_gpu.txt doc page 
This corrects some inaccurate statements about required hardware and briefly discusses some OpenCL related basics. also a typo is fixed
 2018-08-21 06:50:30 -04:00
jrgissing 95d462e5d3 bond/react: better template validity check 
now always throws error if a bond type changes, but both of of the involved atoms are too close to edge of template
 2018-08-21 02:28:53 -06:00
Jacob Gissinger 3aedfbf9d5
Merge pull request #22 from lammps/master 
rebase
 2018-08-20 22:57:04 -05:00
Richard Berger d66d696dff minor tweak 2018-08-20 22:45:57 -04:00
Steve Plimpton 2c19079707
Merge pull request #1062 from lammps/doc-reformat 
change format of Howto and Tools doc pages
 2018-08-20 15:36:53 -06:00
Steve Plimpton 21c332353a
Merge pull request #1065 from lammps/latte-ifort 
add a needed ifort flag for LAMMPS/LATTE link
 2018-08-20 13:58:48 -06:00
Steven J. Plimpton f8faf4dfe2 cosmetic tweak to Howto page 2018-08-20 13:50:55 -06:00
Steven J. Plimpton c719af8bcd remove wrong link optimization flag 2018-08-20 13:42:34 -06:00
Steve Plimpton f402d2f520
Merge pull request #1064 from junghans/cmake_fix 
cmake: required v3.7 for some DOWNLOAD options
 2018-08-20 13:40:28 -06:00
Steve Plimpton 044141eb8f
Merge pull request #1063 from akohlmey/small-doc-fixes 
Fix some documentation issues
 2018-08-20 13:39:59 -06:00
Steve Plimpton 2248bf12d5
Merge pull request #1061 from lammps/doc-tweak2 
doc typos and push author details back to website
 2018-08-20 13:39:32 -06:00
Steven J. Plimpton 0ca0e0a93c mis-spelled word 2018-08-20 13:36:44 -06:00
Steven J. Plimpton 639573ff87 more instructions on external lib downloads, and CMake versions 2018-08-20 13:10:26 -06:00
Steven J. Plimpton f73ffb829b add a needed ifort flag for LAMMPS/LATTE link 2018-08-20 11:20:23 -06:00
Christoph Junghans 353c004d6c cmake: required v3.7 for some DOWNLOAD options 2018-08-20 10:07:49 -06:00
Richard Berger 703a795af8 Modify Howto and Tools 
- add missing TOCs in Howto section
- limit section numbering to maximum of 3 levels
- add "Tool descriptions" header
 2018-08-20 01:50:16 -04:00
Axel Kohlmeyer 4f37b46b10 Merge branch 'master' into small-doc-fixes 2018-08-17 11:24:25 -04:00
Steven J. Plimpton 5436169c20 change format of Howto and Tools doc pages 2018-08-17 09:20:44 -06:00
Steven J. Plimpton 7dac513235 doc typos and push author details back to website 2018-08-17 09:15:21 -06:00
Steve Plimpton 6c5d339a94
Merge pull request #1060 from rbberger/doc-fixes 
Rename Run.txt to Run_head.txt to avoid file name clash on OSX
 2018-08-17 08:51:11 -06:00
Richard Berger c0544ba346 Actually rename the file 2018-08-17 10:34:17 -04:00
Richard Berger eb7568a4fb Fixes issue #1058 2018-08-17 10:13:19 -04:00
Steve Plimpton 2a547ede68
Merge pull request #1059 from rbberger/cmake_fixes 
Add missing source file for KOKKOS with KSPACE
 2018-08-17 06:49:04 -06:00
Axel Kohlmeyer bfaa345536 add comment on KOKKOS compiler and platform support 2018-08-17 00:09:39 -04:00
Axel Kohlmeyer f8c9ab4a3e some rewrite/update of the accelerator comparison page removing outdated info 2018-08-16 23:47:00 -04:00
Axel Kohlmeyer a8c687aee8 cleaner formatting in Sphinx for package tables 2018-08-16 22:41:48 -04:00
Axel Kohlmeyer 73540e6b44 remove unneeded comments 2018-08-16 22:33:38 -04:00
Axel Kohlmeyer e05d471869 fix typo 2018-08-16 22:33:13 -04:00
Richard Berger 4c3bd3909e Add missing source file for KOKKOS with KSPACE 2018-08-16 18:49:45 -04:00
Steven J. Plimpton b7d64e0374 patch 16Aug18 2018-08-16 11:55:57 -06:00
Steve Plimpton 8c0c6659e4
Merge pull request #1056 from lammps/doc-tweak 
tweaks to Manual formatting
 2018-08-16 11:43:46 -06:00
Richard Berger 47f02b323a Undo change, would create inconsistent tocs 2018-08-16 12:39:48 -04:00
Richard Berger 3f15353616 Merge remote-tracking branch 'origin/master' into doc-tweak 2018-08-16 12:27:52 -04:00
Steven J. Plimpton b55f3162f4 date got lost somehow 2018-08-16 09:41:04 -06:00