Homec4science

Updating to master

Authored by Stan Moore <stamoor@sandia.gov> on Jun 19 2017, 18:56.

Description

Updating to master

Event Timeline

Stan Moore <stamoor@sandia.gov> committed rLAMMPSda0dcbe0bb2a: Updating to master (authored by Stan Moore <stamoor@sandia.gov>).Jun 19 2017, 18:56

Merged Changes

This commit merges a very large number of changes. Only the first 50 are shown.
CommitAuthorDetailsCommitted
bc0241576fa1sjplimp/GitHub
Merge pull request #532 from akohlmey/restore-heuristics-in-fix-shardlow 
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
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
e139a7fd4549Anders Hafreager
Updated docs for vashishta/gpu 
Jun 14 2017
d7646aeeed78Anders Hafreager
Fixed opencl error 
Jun 14 2017
5f9341813ddfAnders Hafreager
Removed debug output 
Jun 14 2017
8441307185f1Anders Hafreager
Removed non-general CUDA-dir in makefile 
Jun 14 2017
720af5c3607fAnders Hafreager
Added vashishta to OpenCL makefile 
Jun 14 2017
eeff0b863323Anders Hafreager
Added vashishta GPU package for NVidia 
Jun 14 2017
32b967ed9c28Axel Kohlmeyer
add rigid body overlap warnings to change_box and delete_atoms 
Jun 13 2017
11751521e788Axel Kohlmeyer
remove dead code 
Jun 13 2017
7a05d87f7c47Axel Kohlmeyer
update USER-TALLY examples 
Jun 13 2017
b01143102ddcAxel Kohlmeyer
refactoring of USER-TALLY computes to handle sparse and hybrid systems 
Jun 13 2017
e530ba46f410Axel Kohlmeyer
cleanup and bugfix for compute heat/flux/tally 
Jun 13 2017
420db4459656Axel Kohlmeyer
print incompatible pair style warnings in USER-TALLY only on MPI rank 0 
Jun 13 2017
cfeb9b5ba544Axel Kohlmeyer
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into… 
Jun 12 2017
0c805d0b70edAxel Kohlmeyer
correctly skip over point particles and point dipoles when counting extendend… 
Jun 12 2017
6b289b07942dAxel Kohlmeyer
change incorrect EINERTIA constant in rigid body integrators from 4.0 to 2.0… 
Jun 12 2017
daa77176add6Axel Kohlmeyer
add restart support to fix deform. only "initial" data is restored and some… 
Jun 10 2017
8f18c284d312Axel Kohlmeyer
add crude check to print warning when using compute cnp/atom on multi-type… 
Jun 10 2017
06915162b069Axel Kohlmeyer
whitespace cleanup 
Jun 10 2017
a849f35dcdd3Axel Kohlmeyer
adjust compute cnp/atom to match the documentation. need to skip atoms not in… 
Jun 10 2017
4c69bbcf5c29Axel Kohlmeyer
apply rigid body check to displace_atoms command 
Jun 10 2017
dd44189d1ff3Axel Kohlmeyer
fix bug in compute orientorder/atom argument parsing 
Jun 10 2017
2f6bbcfbbcbaAxel Kohlmeyer
output detailed multi-thread performance data only with "timer full" 
Jun 9 2017