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19330 Commits

Author SHA1 Message Date
Axel Kohlmeyer fed1e800a9 revert reformatting of unrelated file 2020-01-20 09:20:42 -05:00
Axel Kohlmeyer 9959997376 change attribution 2020-01-20 09:20:42 -05:00
Podhorszki Norbert 0da85cb2fc update README for USER-ADIOS 2020-01-20 09:20:42 -05:00
Podhorszki N 580909fd47 Implement read_dump with format 'adios'. It modifies read_dump.cpp to support reading from one dataset by all processes. 2020-01-20 09:20:42 -05:00
Axel Kohlmeyer 868df1f640
Merge pull request #1843 from oywg11/new-ILP-parameters 
New ILP paramters  and pair style improvements
 2020-01-16 16:53:59 -05:00
Axel Kohlmeyer 96cc098dc1
Merge branch 'new-ILP-parameters' of github.com:oywg11/lammps into new-ILP-parameters 
# Conflicts:
#	doc/txt/pair_ilp_graphene_hbn.txt
#	doc/txt/pair_kolmogorov_crespi_full.txt
 2020-01-16 14:18:42 -05:00
oywg11 8ffe15871a Refine the doc files 2020-01-16 21:12:02 +02:00
Axel Kohlmeyer 4dc37bf56e
replace tabs and remove trailing whitespace 2020-01-16 14:06:15 -05:00
Axel Kohlmeyer 2c86c79dbb
correct issue with command table for fix styles 2020-01-16 14:04:48 -05:00
Axel Kohlmeyer ef2ac8aa26
convert updated docs to rst and remove .txt sources 2020-01-16 14:04:14 -05:00
oywg11 b2b28015c4 New ILP paramters 2020-01-16 16:46:04 +02:00
Axel Kohlmeyer f1c79fb914
Merge pull request #1096 from ProfessorMiller/master 
Changes to the NH fix enabling Cauchy stress control (Cauhchystat) du…
 2020-01-15 17:35:03 -05:00
Axel Kohlmeyer 77a28c404a
Merge pull request #1831 from akohlmey/pair-bop-updates 
Correct some issues with pair style bop and its potential files
 2020-01-15 17:30:07 -05:00
Axel Kohlmeyer 4e32af5d49
Merge branch 'master' into pair-bop-updates 2020-01-15 17:13:22 -05:00
Axel Kohlmeyer 62f0d87e59
update .gitignore for recently added styles 2020-01-15 17:13:14 -05:00
Axel Kohlmeyer df24475ea1
update bop potential files to the latest versions 2020-01-15 16:50:10 -05:00
Axel Kohlmeyer 4801f013a5
correct logic error in reading of bop potential files 2020-01-15 16:49:23 -05:00
Axel Kohlmeyer 3efc5b0b64
Merge pull request #1841 from phankl/stable 
Mesoscopic potential for carbon nanotubes
 2020-01-15 16:31:40 -05:00
Philipp Kloza cb20d73a82 consistent name for pot file, symbolic link in examples 2020-01-15 20:45:13 +00:00
Axel Kohlmeyer 1ed50bcdde
Merge pull request #1837 from akohlmey/collected-small-changes 
Collected small changes for the next patch release
 2020-01-15 15:34:00 -05:00
Axel Kohlmeyer f888c436c3
use safe fgets version and check sscanf() return value for correct parsion of potential file header 2020-01-15 14:24:02 -05:00
Axel Kohlmeyer 48cdd6c2fb
refactor mesocnt example to be better suited for testing and add logs 2020-01-15 14:23:19 -05:00
Axel Kohlmeyer 90d5f7be01
Merge remote-tracking branch 'cntmeso/stable' into ph-cntmeso 
# Conflicts:
#	doc/src/pair_mesocnt.rst
 2020-01-15 13:54:37 -05:00
Axel Kohlmeyer 3cb26e576d
make sure communication buffers are fully initialized 2020-01-15 13:47:01 -05:00
Axel Kohlmeyer f05175eb1d
properly initialize eflag/vflag and all related properties 2020-01-15 13:42:50 -05:00
Axel Kohlmeyer 500363ab83
move functions in MathExtra namespace to math_extra.h header file 2020-01-15 13:42:14 -05:00
Philipp Kloza 34bc3b1b2e changed documentation format to .rst 2020-01-15 18:23:45 +00:00
Axel Kohlmeyer 51f41d4559
add missing rst format doc file 2020-01-15 13:05:28 -05:00
Axel Kohlmeyer a74c3b912b
remove tabs and trailing whitespace, adjust source format to closer match LAMMPS style 2020-01-15 12:54:37 -05:00
Axel Kohlmeyer 4d20f1623c
remove outdated .txt versions of documentation 2020-01-15 11:53:21 -05:00
Axel Kohlmeyer 97bcce77d3
update documentation to rst format and integrate into lists/tables 2020-01-15 11:52:49 -05:00
Axel Kohlmeyer 2f1e3d8490
Merge branch 'master' into ph-cntmeso 
# Conflicts:
#	doc/src/pairs.txt
 2020-01-15 11:45:14 -05:00
cdt1802 a8d27efbe7 fixed typos in documenation, added words to false positives for spell check 2020-01-15 14:33:52 +00:00
cdt1802 902d772b85 removed harmonic bond and angle from repo 2020-01-15 13:47:51 +00:00
cdt1802 331fff0613 moved files to USER-MISC, added README entry, added examples 2020-01-15 12:07:26 +00:00
cdt1802 198a40ada6 fixed typo in documentation 2020-01-15 11:43:11 +00:00
cdt1802 9ef984daaa added documentation 2020-01-15 11:04:43 +00:00
Axel Kohlmeyer 133be2132d
Merge remote-tracking branch 'github/junghans-patch-1' into collected-small-changes 2020-01-14 16:57:52 -05:00
Christoph Junghans 392b32ef6f
cmake: fix warning about chain.x 2020-01-14 14:26:28 -07:00
Axel Kohlmeyer cbf3756923
correct CR/LF into plain LF line endings 2020-01-14 15:57:37 -05:00
Axel Kohlmeyer a57f6f5852
Merge pull request #1838 from lammps/stochastic-example 
enhanced stochastic wall example
 2020-01-14 15:55:24 -05:00
Axel Kohlmeyer 93b6d5312d
update the github workflow document for recent changes 2020-01-14 15:42:55 -05:00
Axel Kohlmeyer 16d6932aca
update the contributing guidelines to new documentation format and additional policies and checks 2020-01-14 15:37:07 -05:00
Steve Plimpton ceeae57172 enhanced stochastic wall example 2020-01-14 13:20:35 -07:00
Axel Kohlmeyer 50aa52fc9c
replace (evil) tabs with blanks 2020-01-14 15:08:56 -05:00
Axel Kohlmeyer ded3354fa9
add comments about thread safety to the library howto 2020-01-14 15:04:17 -05:00
Axel Kohlmeyer 7f0373afa3
fix typo 2020-01-14 14:51:00 -05:00
Axel Kohlmeyer b9c6e0f700
Merge pull request #1691 from toquydong/stochasticwall 
Implementation of statistical gas wall boundary conditions
 2020-01-14 14:11:16 -05:00
Axel Kohlmeyer 285138ea13
Merge pull request #1836 from lammps/hyper-upgrade 
Hyperdynamics upgrade
 2020-01-14 14:10:16 -05:00
Axel Kohlmeyer 75b2066506
correct spelling issues 2020-01-14 13:34:19 -05:00