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Commit | Author | Details | Committed | ||||
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8065d967612a | Tim Mattox | USER-DPD: first attempt at npair_ssa_kokkos... It compiles! | Feb 22 2017 | ||||
01d0a5c4a210 | Tim Mattox | BUGFIX: use Kokkos::atomic_fetch_max() to avoid a race on new_maxneighs | Feb 22 2017 | ||||
5c6e7b12c647 | Tim Mattox | BUGFIX: fix a copy-o in build_Item_Ghost(): xbin2, etc. should be an int xbin2… | Feb 22 2017 | ||||
19ffe5931529 | Tim Mattox | USER-DPD: fix typo in NPairHalfBinNewtonSSA::build(): sz1 instead of sx1… | Feb 22 2017 | ||||
37810bdc5302 | Tim Mattox | USER-DPD: move centroid bin of stencil_ssa to the first slot. Eliminates a… | Feb 22 2017 | ||||
7feb6c2853b6 | Tim Mattox | USER-DPD: fix a bug in AtomVecDPDKokkos::unpack_restart() | Feb 22 2017 | ||||
d1a0a3e1c369 | Tim Mattox | USER-DPD: first attempt at nbin_ssa_kokkos... It compiles! | Feb 22 2017 | ||||
c2ee3285fc79 | Tim Mattox | USER-DPD: change nstencil_ssa[] to eliminate a corner case Saves a conditional… | Feb 22 2017 | ||||
5289ec0b39f2 | Tim Mattox | cleanup: remove unused binatomsItem() declaration in npair_kokkos.h | Feb 22 2017 | ||||
e0bafa499d55 | Tim Mattox | indentation fixes in npair_kokkos.cpp, plus a comment question | Feb 22 2017 | ||||
4b3197202ba2 | Tim Mattox | USER-DPD: Rework SSA to use a new neighbor list structure, ready for Kokkos… | Feb 22 2017 | ||||
ab32d136b97e | Tim Mattox | USER-DPD: SSA with Kokkos: make stencil's sx, sy, sz variables public | Feb 22 2017 | ||||
151b3f552bfd | Tim Mattox | USER-DPD: Save pointer to the NPair used to create the NeighList Gives a user… | Feb 22 2017 | ||||
52aaad907f35 | Tim Mattox | USER-DPD: SSA with Kokkos: Reorder stencil subphases to make things easier. | Feb 22 2017 | ||||
be166cb5bf37 | Tim Mattox | USER-DPD: Use subphases when processing AIR zero (locals) in SSA. NOTE: pair… | Feb 22 2017 | ||||
ee83b755eae4 | Tim Mattox | USER-DPD: Split the SSA stencil and neighbor list into subphases. NOTE: pair… | Feb 22 2017 | ||||
ce2da5068b6e | Tim Mattox | USER-DPD: renumber AIRs back to 1-7 for ghosts, and just 0 for locals. This… | Feb 22 2017 | ||||
641bb4bb16c8 | Tim Mattox | USER-DPD: remove use of ssaAIR[], move coord2ssaAIR() to nbin_ssa.cpp Saves an… | Feb 22 2017 | ||||
f73c9a43aba9 | Tim Mattox | USER-DPD: remove broken code for building SSA half neighbor list from full | Feb 22 2017 | ||||
3dddeef365cf | Tim Mattox | USER-DPD: remove unneeded gairct_ssa[] & anum vars, and some > 0 guards | Feb 22 2017 | ||||
fb279a87f5ea | Tim Mattox | USER-DPD: properly compute AIRct_ssa values, and use them in fix_shardlow. | Feb 22 2017 | ||||
e9d46f4e7acb | Tim Mattox | USER-DPD: Correct an error message typo. | Feb 22 2017 | ||||
e42678ed517d | Tim Mattox | USER-DPD: track & use the extent of the local atoms in the bins | Feb 22 2017 | ||||
ff2786c86c4c | Tim Mattox | USER-DPD: Make another version of coord2bin() for nbin_ssa | Feb 22 2017 | ||||
638448676404 | Tim Mattox | USER-DPD: Copy inline coord2bin() functions from nbin_kokkos into nbin_ssa | Feb 22 2017 | ||||
0512e7886067 | Tim Mattox | USER-DPD: new neighbor list code for SSA that gives neighbors to ghosts. This… | Feb 22 2017 | ||||
2db66e49b444 | Tim Mattox | USER-DPD: make pair_dpd_fdt* check more generically for use of fix_shardlow… | Feb 22 2017 | ||||
e76cad358b3b | Tim Mattox | Merge branch 'FixRX_Kokkos_merge' into USER-DPD_kokkos | Feb 22 2017 | ||||
0a751c59012e | Tim Mattox | KOKKOS: fix a compile-time error caused by merge of patch 21Feb17 Remove the… | Feb 22 2017 | ||||
83988a1026f4 | Tim Mattox | Merge branch 'master' into USER-DPD_kokkos as of patch 21Feb17 | Feb 22 2017 | ||||
49e83b434800 | Steve Plimpton | patch 21Feb17 sync with GHub | Feb 22 2017 | ||||
6e89ccd522f5 | sjplimp/GitHub | Merge pull request #385 from akohlmey/collected-small-bugfixes | Feb 21 2017 | ||||
53f3df5bfc94 | sjplimp/GitHub | Merge pull request #384 from lammps/another_neigh_refactor | Feb 21 2017 | ||||
3dbbea342a3b | Steve Plimpton | remove a debug print line | Feb 21 2017 | ||||
b70c670aac56 | sjplimp/GitHub | Merge pull request #383 from stanmoore1/rshan_class2_kk | Feb 21 2017 | ||||
1d17cae407ff | sjplimp/GitHub | Merge pull request #382 from timattox/master_kokkos_neigh_bugfix | Feb 21 2017 | ||||
429264a12bac | sjplimp/GitHub | Merge pull request #380 from hheenen/core_shell_documentation | Feb 21 2017 | ||||
d001a093455b | sjplimp/GitHub | Merge pull request #379 from ndtrung81/pppm-gpu-compute-group-group | Feb 21 2017 | ||||
cb9d42da0896 | sjplimp/GitHub | Merge pull request #378 from timattox/USER-DPD_ssa_update | Feb 21 2017 | ||||
7185ec92b3f0 | sjplimp/GitHub | Merge pull request #377 from stanmoore1/kokkos_update | Feb 21 2017 | ||||
1cd4c48cccdb | Steve Plimpton | new SNAP potential for W | Feb 21 2017 | ||||
a88136c3f50d | Axel Kohlmeyer | correct a logic bug in fix wall/gran/region | Feb 17 2017 | ||||
ce20c7ffe911 | Axel Kohlmeyer | remove debug code | Feb 17 2017 | ||||
4a80df3a99b8 | Steve Plimpton | more neighbor list changes, some new options | Feb 16 2017 | ||||
5f93fad012d8 | Stan Moore | Add copymode protection to class2 styles | Feb 15 2017 | ||||
ccaec315db31 | Stan Moore | Updating docs for Kokkos class2 | Feb 15 2017 | ||||
c6c1852b3b1a | Stan Moore | Fix a few issues with Kokkos class2 files | Feb 15 2017 | ||||
69a8e19dc5eb | Stan Moore | Add files from Ray Shan for Kokkos version of class2 angle, bond, etc. | Feb 15 2017 | ||||
928947dcea24 | Tim Mattox | neighbor_kokkos.cpp: Don't call grow() on neighbor lists that are copies. This… | Feb 15 2017 | ||||
48070011d9b7 | Axel Kohlmeyer/GitHub | update names in example, too | Feb 14 2017 | ||||
0fb8dacc00f8 | Axel Kohlmeyer/GitHub | one more Finchham to Fincham change | Feb 14 2017 | ||||
6b923476b96c | Hendrik Heenen | updated documentation and examples for coreshell | Feb 14 2017 | ||||
20806dd86acf | Trung Nguyen | Fixed bugs with pppm/gpu when used with compute group/group | Feb 14 2017 | ||||
acc5bde0fe53 | Christopher Stone | Removed printf's from FixRXKokkos and FixRX. | Feb 13 2017 | ||||
799d55e09713 | Christopher Stone | Switched to operator()'s and Tag's for the Kokkos launch objects. | Feb 13 2017 | ||||
4e9c8f496235 | Christopher Stone | Update FixRXKokkos for Cuda build. Added inline and other KOKKOS macros. | Feb 13 2017 | ||||
2f32c1a9af6f | Christopher Stone | Switched to using Kokkos device data for ODE scratch data. | Feb 13 2017 | ||||
4ac7a5d1f2e6 | Christopher Stone | Added Kokkos-like array datatype into RK4 and RHS in FixRXKokkos. | Feb 13 2017 | ||||
93d99ec8d057 | Christopher Stone | Added ODE diagnostics to FixRxKokkos using Kokkos managed data. | Feb 13 2017 | ||||
4e8351d9c8cb | Christopher Stone | Code clean-up for FixRxKokkos. | Feb 13 2017 | ||||
f2d005fb8db0 | Christopher Stone | Fixed errors in FixRxKokkos kokkos neighbor lists initialization and usage and… | Feb 13 2017 | ||||
0d57a1d831e6 | Christopher Stone | Added setup_pre_force, pack/unpack methods to FixRxKokkos. | Feb 13 2017 | ||||
acba25c38312 | Christopher Stone | Added kokkos datatypes to FixRxKokkos::computeLocalTemperature(...) | Feb 13 2017 | ||||
843f3a919256 | Christopher Stone | Updates to FixRxKokkos ... | Feb 13 2017 | ||||
2ea900df007e | Christopher Stone | Updated FixRxKokkos to use kokkos-managed data objects. | Feb 13 2017 | ||||
70fa9189a8c8 | Christopher Stone | Updated KOKKOS installer and updated USER-DPD FixRx to match KOKKOS version. | Feb 13 2017 | ||||
41d3903f5a72 | Christopher Stone | Added kokkos-managed parameters for FixRxKokkos. | Feb 13 2017 | ||||
43d61f313f56 | Christopher Stone | Initial bare-bones port of FixRX to Kokkos. | Feb 13 2017 | ||||
dc16228a602d | Tim Mattox | Merge branch 'USER-DPD_ssa_update' into USER-DPD_kokkos | Feb 13 2017 | ||||
90e5ae965d7f | Stan Moore | Add missing flags to Kokkos Makefile | Feb 13 2017 | ||||
15008c9d1889 | Tim Mattox | USER-DPD: performance optimizations to ssa_update() in fix_shardlow Overall… | Feb 13 2017 | ||||
33af7ab24874 | Stan Moore | Remove merge line | Feb 13 2017 | ||||
8f9b2aca06e7 | Stan Moore | Removing unused files in Kokkos lib | Feb 13 2017 | ||||
383da816c221 | Stan Moore | Updating Kokkos lib | Feb 13 2017 | ||||
96a43e8ef1a4 | Tim Mattox | Merge branch 'master' into USER-DPD_kokkos as of patch 13Feb17 | Feb 13 2017 | ||||
cb982f2f28ab | Steve Plimpton | sync 13Feb17 patch back to GH | Feb 13 2017 | ||||
4843296d4e57 | sjplimp/GitHub | Merge pull request #372 from akohlmey/fft-cleanup | Feb 13 2017 | ||||
2bdda8f6c013 | Steve Plimpton | patch 12Feb17 - change int to tagint for compute group/group | Feb 13 2017 | ||||
0068ef56168f | Steve Plimpton | added molecule option to compute group/group command | Feb 10 2017 | ||||
02b0e6cc55ab | sjplimp/GitHub | Merge pull request #375 from akohlmey/small-updates-and-fixes | Feb 10 2017 | ||||
fbb24c2406d3 | sjplimp/GitHub | Merge pull request #374 from agiliopadua/master | Feb 10 2017 | ||||
a5f830c40c6e | Axel Kohlmeyer | fix typo | Feb 8 2017 | ||||
8c074a363ae8 | Axel Kohlmeyer | Merge branch 'master' into small-updates-and-fixes | Feb 8 2017 | ||||
dc9c2399b28d | Tim Mattox | Merge branch 'master' into USER-DPD_kokkos Fixed trivial merge conflict in… | Feb 6 2017 | ||||
27aca14094e9 | Agilio Padua | Updated polarizer.py to use coul/long/cs | Feb 4 2017 | ||||
191453e1c73d | Axel Kohlmeyer | Merge branch 'master' into fft-cleanup | Feb 3 2017 | ||||
207adc3968ff | sjplimp/GitHub | Merge pull request #373 from stanmoore1/kk_more_bugfixes | Feb 3 2017 | ||||
84c517159d07 | sjplimp/GitHub | Merge pull request #368 from Pakketeretet2/kokkos_morse | Feb 3 2017 | ||||
6ca377436f8b | sjplimp/GitHub | Merge pull request #366 from rbberger/kokkos_lammps_bigbig_fix | Feb 3 2017 | ||||
dc34a32602ef | sjplimp/GitHub | Merge pull request #362 from ibaned/warnings2 | Feb 3 2017 | ||||
067119f6c642 | Stan Moore | Adding missing friend statement to pair_lj_class2_coul_cut_kokkos | Feb 2 2017 | ||||
1834a5e46c3a | Stan Moore | Fixing more Kokkos per-atom and fdotr issues | Feb 2 2017 | ||||
6a4918b39abe | Stan Moore | Fixing typo in pair_buck_coul_cut_kokkos | Feb 2 2017 | ||||
5da0d393921d | Stan Moore | Fixing fdotr in pair_buck_coul_cut_kokkos | Feb 2 2017 | ||||
6f92429602d6 | Stan Moore | Fixing per-atom ev issue | Feb 2 2017 | ||||
38e0e4bb69ff | Stan Moore | Add missing typedef in Kokkos pair styles | Feb 2 2017 | ||||
daf9f95381c2 | Stan Moore | Fixing Kokkos per-atom e/v issue | Feb 2 2017 | ||||
6595fde0a18b | Axel Kohlmeyer | explain in more detail the handling of error checking for numerical inputs | Feb 2 2017 | ||||
6bcec9c61d18 | Richard Berger/GitHub | Merge pull request #2 from stanmoore1/kk_tag_bugfixes | Feb 2 2017 | ||||
9d1991bf840c | Axel Kohlmeyer | remove support for obsolete legacy FFT libraries and point -DFFT_FFTW to FFTW3 | Feb 2 2017 |
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