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Merge branch 'master' into package-meamc

Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Jun 20 2017, 19:21.

Description

Merge branch 'master' into package-meamc

Details

Event Timeline

GitHub <noreply@github.com> committed rLAMMPS72a1364d854f: Merge branch 'master' into package-meamc (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Jun 20 2017, 19:21

Merged Changes

This commit merges a very large number of changes. Only the first 50 are shown.
CommitAuthorDetailsCommitted
84b530cca189sjplimp/GitHub
Merge pull request #537 from lammps/neb 
Jun 20 2017
50c9167913d6Axel Kohlmeyer
small formatting correction in fix neb docs 
Jun 20 2017
d2610d9e7c0dSteve Plimpton
minor changes to NEB doc pages and examples 
Jun 20 2017
326a8a1289efsjplimp/GitHub
Merge pull request #536 from akohlmey/fix-nvcc-openmp-conflicts 
Jun 20 2017
b5300724bb8bsjplimp/GitHub
Merge pull request #533 from lammps/user-intel 
Jun 20 2017
e129f18e6f19sjplimp/GitHub
Merge pull request #530 from akohlmey/no_static_sort_in_dump 
Jun 20 2017
8c54fcd1b6c9Axel Kohlmeyer
cleanup from aidan for fix reax/c/species and its KOKKOS version 
Jun 19 2017
f5047ac3c7f9Axel Kohlmeyer
augment fix shardlow check for ordering fixes to be KOKKOS compatible 
Jun 19 2017
164cedf3539cAxel Kohlmeyer
protect all OpenMP pragmas with ifdefs and add special conditions for nvcc to… 
Jun 19 2017
3c329d170791Axel Kohlmeyer
massive whitespace cleanup in USER-INTEL 
Jun 19 2017
b687d16177feAxel Kohlmeyer
insert C++ file format indicator comments 
Jun 19 2017
9d3e34e4922cAxel Kohlmeyer
add missing reference for lj/smooth/linear 
Jun 19 2017
8988b692a392Emile Maras
modified the documentation, first and last freeend can have different spring… 
Jun 19 2017
c97415aefab7Emile Maras
corrected the initial free end 
Jun 19 2017
9b8de3ba2960Axel Kohlmeyer
remove ifdefs for selecting between plain and hybrid merge sort. use hybrid… 
Jun 17 2017
cd88b31450c3Steve Plimpton
same PR, also has cosmetic changes to new fix neb options 
Jun 17 2017
9b9f6d6fe2f4Steve Plimpton
USER-INTEL upgrade from M Brown 
Jun 17 2017
c1b0b1b3f9d7Axel Kohlmeyer
restore old qsort() based code and add preprocessor directives to switch 
Jun 17 2017
bc0241576fa1sjplimp/GitHub
Merge pull request #532 from akohlmey/restore-heuristics-in-fix-shardlow 
Jun 16 2017
2a6f026853e6Axel Kohlmeyer
mergesort performance improvements 
Jun 16 2017
8728a8ddae67Axel Kohlmeyer
restore heuristics for checking against integrators that broke after PR #499… 
Jun 15 2017
9aa450b83240sjplimp/GitHub
Merge pull request #528 from akohlmey/no_static_in_ring_comm 
Jun 15 2017
0588c382f0a6sjplimp/GitHub
Merge pull request #513 from v0i0/bugfix-airebo-nconj-kronecker 
Jun 15 2017
d3c90f3c14ddsjplimp/GitHub
Merge pull request #510 from akohlmey/collected-small-changes 
Jun 15 2017
b62d526cc98dAxel Kohlmeyer
Revert "avoid undesired negative forces for high particle velocities in… 
Jun 15 2017
1a29048940e9sjplimp/GitHub
Merge pull request #531 from ohenrich/user-cgdna 
Jun 15 2017
0a6b3f87901csjplimp/GitHub
Merge pull request #527 from dstelter92/master 
Jun 15 2017
7227bc415d00sjplimp/GitHub
Merge pull request #526 from andeplane/vashishta_gpu 
Jun 15 2017
a4bc233d8631sjplimp/GitHub
Merge pull request #525 from akohlmey/user-tally-refactor 
Jun 15 2017
5c5b4ffadba9sjplimp/GitHub
Merge pull request #522 from akohlmey/tip4p-cleanup-refactor 
Jun 15 2017
30177c4eaeb0sjplimp/GitHub
Merge pull request #521 from pastewka/17_dump_nc 
Jun 15 2017
178eff237bc3sjplimp/GitHub
Merge pull request #520 from stanmoore1/kokkos_update 
Jun 15 2017
576b7f1d97b7sjplimp/GitHub
Merge pull request #519 from Pakketeretet2/USER-MANIFOLD-gaussian-bump 
Jun 15 2017
86369fec6babsjplimp/GitHub
Merge pull request #517 from akohlmey/select-rigid-reinit-option 
Jun 15 2017
79341ac5d162sjplimp/GitHub
Merge pull request #516 from akohlmey/check-rigid-overlap 
Jun 15 2017
66945294a9a7sjplimp/GitHub
Merge pull request #515 from stanmoore1/remove_fences 
Jun 15 2017
9a7207e34cb4sjplimp/GitHub
Merge pull request #511 from akohlmey/add-compute-cnp 
Jun 15 2017
d41c617d1de0sjplimp/GitHub
Merge pull request #509 from akohlmey/add-atomonly-npair-for-omp 
Jun 15 2017
1ec9e588fff2sjplimp/GitHub
Merge pull request #504 from andeplane/hexorder_fix 
Jun 15 2017
3c7417fb598dsjplimp/GitHub
Merge pull request #497 from lammps/add-user-reaxc-omp 
Jun 15 2017
34cfc7bd514bsjplimp/GitHub
Merge pull request #490 from EmileMaras/NEB-Change 
Jun 15 2017
c98bb7fa5f2aOliver Henrich
Corrected minor bug in utility script 
Jun 15 2017
77ca68a2b4daOliver Henrich
Changed affiliation 
Jun 15 2017
06fe703eedcbAxel Kohlmeyer
add missing mergesort header 
Jun 15 2017
8500a197ae13Axel Kohlmeyer
whitespace cleanup 
Jun 15 2017
1f17e8ebbbafAxel Kohlmeyer
remove need for static class member variables in Dump and Irregular 
Jun 15 2017
fcc387f23201Axel Kohlmeyer
change ring communication API to no longer require a static variable pointing… 
Jun 14 2017
e7634a44f442dstelter92
updated thermo_modify in example 
Jun 14 2017
3214d639aa2edstelter92
removed unneeded .gitignore 
Jun 14 2017
0ad66ecb89dcdstelter92
Added compute_scalar to fix_grem for easier output managment, updated example… 
Jun 14 2017