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Merge branch 'master' into USER-DPD_kokkos as of patch 17Jan17

Authored by Tim Mattox <timothy.mattox@engilitycorp.com> on Jan 17 2017, 19:19.

Description

Merge branch 'master' into USER-DPD_kokkos as of patch 17Jan17

Event Timeline

Tim Mattox <timothy.mattox@engilitycorp.com> committed rLAMMPS883385c8e449: Merge branch 'master' into USER-DPD_kokkos as of patch 17Jan17 (authored by Tim Mattox <timothy.mattox@engilitycorp.com>).Jan 17 2017, 19:19

Merged Changes

This commit merges a very large number of changes. Only the first 50 are shown.
CommitAuthorDetailsCommitted
d2fc88a626e3Steve Plimpton
patch 17Jan17 
Jan 17 2017
c52a26382f89sjplimp/GitHub
Merge pull request #339 from akohlmey/fixes-for-srp-example 
Jan 17 2017
ad4d2999755asjplimp/GitHub
Merge pull request #335 from stanmoore1/neighbor_fixes 
Jan 17 2017
83408b195fcbsjplimp/GitHub
Merge pull request #342 from epfl-cosmo/ipi-multiinit-bug 
Jan 17 2017
cd7bdf9251b6sjplimp/GitHub
Merge pull request #341 from stanmoore1/qeq_kk_neighlist 
Jan 17 2017
8c5b10890025sjplimp/GitHub
Merge pull request #340 from stanmoore1/fix_rx_neighborlist 
Jan 17 2017
c19d2011bb0fsjplimp/GitHub
Merge pull request #334 from sstrong99/flow_gauss_changeRef 
Jan 17 2017
973bef4d4527sjplimp/GitHub
Merge pull request #332 from akohlmey/coord-atom-orientorder-atom-enhancements 
Jan 17 2017
1b9e50c8cbaasjplimp/GitHub
Merge pull request #331 from timattox/USER-DPD_fix_example_typo 
Jan 17 2017
252e07e0838fsjplimp/GitHub
Merge pull request #330 from akohlmey/collected-small-bugfixes 
Jan 17 2017
74a661ae264fsjplimp/GitHub
Merge pull request #328 from akohlmey/print-last-command-on-error 
Jan 17 2017
d8bc590aaf1fsjplimp/GitHub
Merge pull request #327 from stanmoore1/kokkos_lib_update 
Jan 17 2017
c9bea60710e6sjplimp/GitHub
Merge pull request #326 from Pakketeretet2/github-tutorial-update 
Jan 17 2017
5cd856c97f97Steve Plimpton
fix spring doc page update 
Jan 17 2017
2f13365cf5f3Axel Kohlmeyer
avoid spurious error message, when no storage fix is active/used 
Jan 16 2017
0a2b78acb877Axel Kohlmeyer
rather than adjusting the communication cutoff, we just print out the minimum… 
Jan 16 2017
3f46b6d7829aAxel Kohlmeyer
fix bugs from incorrect code synchronization 
Jan 16 2017
5abd6e512250Axel Kohlmeyer
reordering operations in Pair::init_style() to avoid segfaults w/o a kspace… 
Jan 16 2017
f3a82f454eeaMichele Ceriotti
Included a flag to prevent multiple open_socket calls if run is included… 
Jan 16 2017
473a3ebeeff2Axel Kohlmeyer
fix for bug with compute rdf with pair reax/c. we must not copy a neighbor list… 
Jan 15 2017
b220850377e5Stan Gerald Moore (stamoor)
Removing neighbor list hack in fix_qeq_reax_kokkos 
Jan 15 2017
fa00e0593fc7Stan Gerald Moore (stamoor)
Make fix_rx request its own neighbor list 
Jan 14 2017
4a09399dc64cAxel Kohlmeyer
during setup, checking timestep doesn't seem to be sufficient. comparing bins… 
Jan 14 2017
5821fe8dd563Axel Kohlmeyer
correct out-of-bounds accesses 
Jan 14 2017
98ceb6feb1bfAxel Kohlmeyer
add missing html files to lammps.book 
Jan 14 2017
61cff85435f4Axel Kohlmeyer
avoid not only division by zero, but also computing variance for short runs… 
Jan 13 2017
aa0b327f7e53Axel Kohlmeyer
Merge branch 'bugfix_dividebyzero' of https://github.com/timattox/lammps_USER… 
Jan 13 2017
04fe07196864Stan Moore/GitHub
Merge pull request #6 from ibaned/cuda-lj-ctor-warning 
Jan 13 2017
78498715b49dTim Mattox
Protect from divide by zero in mpi_timings() when printing results. e.g. If… 
Jan 13 2017
b2f67fea30d1Axel Kohlmeyer
Merge branch 'collected-small-bugfixes' of github.com:akohlmey/lammps into… 
Jan 13 2017
c59bcf31d1c2Axel Kohlmeyer
change $MKLROOT to $(MKLROOT) as reported by @WeiLiPenguin 
Jan 13 2017
2540fc281c4fAxel Kohlmeyer
Merge branch 'flow_gauss_changeRef' of github.com:sstrong99/lammps into pull-334 
Jan 13 2017
e8e03dd44092Axel Kohlmeyer
Updated the reference for the flow/gauss method, the new reference is much more… 
Jan 13 2017
daf766d4f89fStan Moore
Fixing Kokkos neighbor bug 
Jan 13 2017
630783c8e852Stan Moore
Fixing neighbor bug 
Jan 13 2017
c94030d96631Dan Ibanez
put pair_lj_coul in kokkos_type.h 
Jan 12 2017
1229f6f60b50Steven Strong
Updated the reference for the flow/gauss method, the new reference is much more… 
Jan 12 2017
0b081b0086adAxel Kohlmeyer
whitespace cleanup 
Jan 12 2017
8e1cf6643c00Axel Kohlmeyer
apply bugfix to fix wall/gran by eric_lyster@agilent.com on lammps-users 
Jan 12 2017
6950a991624eAxel Kohlmeyer
Revert "remove obsolete warning about fix rigid image flag restrictions" 
Jan 12 2017
9f4e5e06616cDan Ibanez
fix a CUDA constructor warning 
Jan 11 2017
34cb4027df01Axel Kohlmeyer
make formatting comment consistent 
Jan 11 2017
1d0e600ab74bAxel Kohlmeyer
formatting improvements and small corrections for timer settings and output… 
Jan 11 2017
7162cafdf5a5Stan Moore
Squelching output from Makefile 
Jan 10 2017
ee9e7cfbd5e3Stan Moore
Fixing Kokkos CUDA Makefile issue 
Jan 10 2017
7839c335da14Stan Moore
Fixing compile error with Kokkos CUDA Makefiles 
Jan 10 2017
622d9268491dAxel Kohlmeyer
adapt example inputs for TAD and PRD to the change in compute coord/atom 
Jan 10 2017
92d15d4a8931Axel Kohlmeyer
replace string compare with enums, fix memory leak, formatting cleanup 
Jan 10 2017
95706ac846fbAxel Kohlmeyer
import contributed code for computes coord/atom and orientorder/atom 
Jan 10 2017
d06688bb9170Tim Mattox
USER-DPD: fix a typo in the DPD-H example input; update reference output. 
Jan 10 2017