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12005 Commits

Author SHA1 Message Date
Steve Plimpton 79b005dc3d patch 7Mar17 2017-03-07 11:40:07 -07:00
sjplimp a2fa6ef452 Merge pull request #393 from akohlmey/small-bugfixes 
Small bugfixes
 2017-03-07 09:56:03 -07:00
sjplimp 920641bbff Merge pull request #399 from rbberger/docs_spelling_fixes 
Correct spelling errors in documentation
 2017-03-07 09:47:22 -07:00
sjplimp c2aabdec22 Merge pull request #398 from stanmoore1/kokkos_changes 
Kokkos changes
 2017-03-07 09:46:54 -07:00
sjplimp e4aa735a68 Merge pull request #395 from timattox/USER-DPD_bugfix 
USER-DPD: a variety of small but important bugfixes
 2017-03-07 09:46:40 -07:00
sjplimp 4af6557568 Merge pull request #394 from jaapkroe/kolmogorov-crespi 
Added Kolmogorov-Crespi potential
 2017-03-07 09:46:08 -07:00
sjplimp 0798885bdb Merge pull request #389 from akohlmey/update-agni-potential 
update AGNI potential for Al, reference runs and output and citation
 2017-03-07 09:35:31 -07:00
sjplimp 020e75e7ef Merge pull request #386 from akohlmey/doc-consistentcy 
improve consistency of manual
 2017-03-07 09:33:14 -07:00
sjplimp d6866f1cfd Merge pull request #376 from v0i0/airebo-bondorderLJ-fixes 
Fixes for PairAIREBO::bondorderLJ
 2017-03-07 09:32:30 -07:00
Steve Plimpton efaa4c6710 new neigh_modify exclude option, other SNAP changes 2017-03-07 09:31:12 -07:00
Richard Berger 08baaa9d8e Fix more typos in tools 2017-03-07 01:00:25 -05:00
Richard Berger 359af419a7 Fix typo in python README 2017-03-07 00:58:35 -05:00
Richard Berger 21be86c423 Fix typos in txt2html 2017-03-07 00:58:03 -05:00
Richard Berger d6800405a5 Fix more typos in examples 2017-03-07 00:57:23 -05:00
Richard Berger 3a054d1a82 Fix more typos in src files 2017-03-07 00:55:01 -05:00
Richard Berger 007f3c66a0 Third batch of spelling fixes in manual 2017-03-07 00:51:31 -05:00
Richard Berger 32708860a9 Add remaining false positives 2017-03-07 00:27:35 -05:00
Richard Berger fc9eebb936 Added spellcheck utility to documentation build 
Uses the sphinxcontrib-spelling extension and requires PyEnchant and
aspell-en to be installed.

Adds the optional make target 'spelling' which produces the file
spelling/output.txt. It contains all words it detects.

Due to the large number of false positives, words in
utils/sphinx-config/false_positives.txt are ignored.
 2017-03-05 21:23:41 -05:00
Richard Berger dd76ac5010 Fix typos in tools folder 2017-03-05 21:18:01 -05:00
Richard Berger 17486a9319 Convert USER/lb/polymer files to UNIX line endings and remove trailing whitespace 2017-03-05 21:16:21 -05:00
Richard Berger 778a79b8ee Fix typos in examples folder 2017-03-05 21:10:33 -05:00
Richard Berger 7dd60f9737 Fix typos in src files 2017-03-05 21:03:40 -05:00
Richard Berger 084d831bce Second batch of spelling fixes in manual 2017-03-05 21:02:51 -05:00
Richard Berger e261bef7bb Spelling fixes in source files 2017-03-05 18:30:39 -05:00
Richard Berger fd78486086 First batch of spelling fixes in manual 2017-03-05 18:27:38 -05:00
Stan Moore 6382d3c89a Improving memory access in comm_kokkos 2017-03-03 09:14:47 -07:00
Tim Mattox 763a00e8b0 USER-DPD: pair_multi_lucy_rx bugfix for systems with multiple atom types 2017-03-03 09:29:17 -05:00
Axel Kohlmeyer ce1a3f25e1 Merge branch 'pair_write_fix' of https://github.com/andeplane/lammps into small-bugfixes 2017-03-03 08:11:55 -05:00
Anders Hafreager eaf7ed7707 Print error if pair_write does not get correct number of arguments 2017-03-02 21:25:27 -08:00
Tim Mattox 9a560b9091 USER-DPD bugfix: make atom_vec_dpd work properly with atom_vec_hybrid. 
We were sending too much data during pack_comm_hybrid/unpack_comm_hybrid.
 2017-03-01 15:22:28 -05:00
Jaap Kroes 8a0e44db83 updated documentation and ev_tally 2017-03-01 16:13:44 +01:00
Tim Mattox 1dc78a7e58 USER-DPD: correct off-by-one errors in PairMultiLucyRX::coeff() 2017-02-28 17:45:21 -05:00
Tim Mattox 7a593c2fc8 USER-DPD: correct off-by-one errors in PairTableRX::coeff() 2017-02-28 14:25:03 -05:00
Axel Kohlmeyer 3ac74a1d69 update lammps.book file for latest doc changes 2017-02-28 11:21:18 -05:00
Axel Kohlmeyer 3605208a45 add a few more missing details for integrating pair style kolmogorov/crespi/z 2017-02-28 11:16:27 -05:00
Axel Kohlmeyer 9b01949cac make the introduction of the command-by-category list less confusing 2017-02-28 11:05:40 -05:00
Jaap Kroes 323570c920 added jpg for kolmogorov-crespi-z equations and fixed hybrid/overlay check in source 2017-02-28 15:39:01 +01:00
Jaap Kroes df13a7a003 email added 2017-02-28 15:12:35 +01:00
Jaap Kroes a1b40b902d Added Kolmogorov-Crespi potential 2017-02-28 14:59:13 +01:00
Axel Kohlmeyer b921b69f47 implement bugfix from issue #388 
this closes #388
 2017-02-27 18:22:21 -05:00
Axel Kohlmeyer c0cf50bce5 trigger recomputing ichunk between runs unless requested otherwise 
this fixes #390
 2017-02-27 18:19:59 -05:00
Axel Kohlmeyer 2708c86836 fix typos: moleclue -> molecule 
this closes #386
 2017-02-27 18:03:18 -05:00
Axel Kohlmeyer 9999f363a1 remove outdated log files, too. 2017-02-24 15:34:59 -05:00
Axel Kohlmeyer a18b4ef4b0 update AGNI potential for Al, reference runs and output and citation 2017-02-24 15:33:13 -05:00
Axel Kohlmeyer 20a9ffe69d improve consistency and resolve dead links for USER-CGDNA related doc files 2017-02-21 21:27:34 -05:00
Steve Plimpton 49e83b4348 patch 21Feb17 sync with GHub 2017-02-21 16:07:26 -07:00
sjplimp 6e89ccd522 Merge pull request #385 from akohlmey/collected-small-bugfixes 
collected small bugfixes and updates
 2017-02-21 15:59:06 -07:00
sjplimp 53f3df5bfc Merge pull request #384 from lammps/another_neigh_refactor 
more neighbor list changes, some new options
 2017-02-21 15:57:23 -07:00
Steve Plimpton 3dbbea342a remove a debug print line 2017-02-21 15:57:03 -07:00
sjplimp b70c670aac Merge pull request #383 from stanmoore1/rshan_class2_kk 
Kokkos version of class2 bond, angle, dihedral, and improper from Ray Shan
 2017-02-21 15:52:10 -07:00