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15739 Commits

Author SHA1 Message Date
Axel Kohlmeyer e632acec29 fix a bunch more spelling errors 2018-08-22 21:30:21 -04:00
Axel Kohlmeyer 1bd5626140 fix some more spelling issues 2018-08-22 20:43:35 -04:00
Axel Kohlmeyer ffb1a9c46a update link in lammps theme for sphinx 2018-08-22 20:36:01 -04:00
Axel Kohlmeyer 9e37ea16ac fix some speelink ehrrors 2018-08-22 20:35:35 -04:00
Axel Kohlmeyer c8ac88dd87 update link in LAMMPS theme for Sphinx 2018-08-22 19:46:49 -04:00
Axel Kohlmeyer 0e292b397f even more broken links detected by ePUB to MOBI conversion 2018-08-22 19:41:44 -04:00
Rene Halver 01fe356904 first version of scafacos.h without the inclusion of the ScaFaCoS header 2018-08-22 17:18:36 -06:00
Axel Kohlmeyer d5089858bd add support for the conversion of ePUB to MOBI (compatible with Kindle) 2018-08-22 19:17:21 -04:00
Axel Kohlmeyer 357ffef09c fix some more broken links detected by ebook conversion 2018-08-22 19:16:36 -04:00
Axel Kohlmeyer 2aa4770e0d correct link in AtC html docs 2018-08-22 19:16:11 -04:00
Axel Kohlmeyer 4074c4c67f correct some more broken or outdated links 2018-08-22 19:08:07 -04:00
Axel Kohlmeyer a1098d5796 fix broken and inconsistent links in the manual 2018-08-22 18:45:32 -04:00
Steven J. Plimpton 8930a88e99 enrich the AIMD interface 2018-08-22 15:12:52 -06:00
Rene Halver fd56124a94 corrected remap call and logic for check if correct solver / tolerance combinations are set 2018-08-22 14:17:21 -06:00
Steven J. Plimpton 03b880a31c more doc page updates 2018-08-22 11:42:41 -06:00
Steven J. Plimpton 4e13ce1d25 add back in MESSAGE package info in CMakeLists.txt 2018-08-22 11:21:14 -06:00
Steven J. Plimpton 89a3670fb5 merge master into cslib branch, update docs 2018-08-22 11:19:55 -06:00
Steven J. Plimpton c4b55385e2 doc updates 2018-08-22 10:40:39 -06:00
Steven J. Plimpton cb8482b0e6 another doc change 2018-08-22 10:22:51 -06:00
Steven J. Plimpton a9fb8636ad doc page updates and changed domain->remap() call 2018-08-22 09:52:44 -06:00
Steven J. Plimpton 9a15d0bd83 Merge branch 'master' into scafacos 2018-08-22 09:25:29 -06:00
Steven J. Plimpton f466c64071 enable merge to current GH master 2018-08-22 09:21:54 -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
Rene Halver bfd711ad12 fixed missing initialization of xpbc as well as deallocation in constructor 2018-08-21 17:29:38 -06:00
Rene Halver c23534019c fixed typo in example file name 2018-08-21 17:28:42 -06:00
Rene Halver 3573970e4a fixed double definition, removed virial check for p3m and removed unused function definition Scafacos::pack... 2018-08-21 17:04:52 -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
Steven J. Plimpton fc7d9ff558 apply PBC to coords passed to scafacos 2018-08-21 11:12:21 -06:00
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
Richard Berger cca1e0a399 Merge branch 'master' into granular-kokkos 2018-08-20 22:02:41 -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
Steven J. Plimpton 937d4707dc proposed SJP changes for 2nd cutoff_triple 2018-08-20 15:03:21 -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