History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
e4500859a3e2 | Tim Mattox | USER-DPD: add "#ifdef DEBUG_PAIR_CT" debugging code to fix_shardlow* | Feb 25 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 | |||
c2ee3285fc79 | Tim Mattox | USER-DPD: change nstencil_ssa[] to eliminate a corner case Saves a conditional… | Feb 22 2017 | |||
4b3197202ba2 | Tim Mattox | USER-DPD: Rework SSA to use a new neighbor list structure, ready for Kokkos… | 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 | |||
83988a1026f4 | Tim Mattox | Merge branch 'master' into USER-DPD_kokkos as of patch 21Feb17 | Feb 22 2017 | |||
cb9d42da0896 | sjplimp/GitHub | Merge pull request #378 from timattox/USER-DPD_ssa_update | Feb 21 2017 | |||
1cd4c48cccdb | Steve Plimpton | new SNAP potential for W | Feb 21 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 | |||
70fa9189a8c8 | Christopher Stone | Updated KOKKOS installer and updated USER-DPD FixRx to match KOKKOS version. | Feb 13 2017 | |||
dc16228a602d | Tim Mattox | Merge branch 'USER-DPD_ssa_update' into USER-DPD_kokkos | Feb 13 2017 | |||
15008c9d1889 | Tim Mattox | USER-DPD: performance optimizations to ssa_update() in fix_shardlow Overall… | Feb 13 2017 | |||
f3c591960603 | Stan Moore | Merge remote branch 'upstream/master' into USER-DPD_kokkos | Jan 27 2017 | |||
c8260af37cc0 | Christopher Stone | Possible uninitialized variable in USER-DPD/pair_exp6_rx.cpp bugfix. | Jan 23 2017 | |||
f9bc81b92400 | Tim Mattox | Merge branch 'master' into USER-DPD_kokkos as of patch 20 Jan 2017. | Jan 20 2017 | |||
f8d3c4c7403d | sjplimp/GitHub | Merge pull request #345 from timattox/USER-DPD_another_zero_compute | Jan 20 2017 | |||
0887ff127337 | Stan Moore/GitHub | Merge pull request #13 from timattox/master | Jan 20 2017 | |||
9a299875dade | Steve Plimpton | simplified neighbor list copying to avoid possible same-timestep re-build issues | Jan 20 2017 | |||
f6cd98636b8b | Tim Mattox | USER-DPD: Also apply "check if a0 is zero" optimization to pair_dpd_fdt This… | Jan 18 2017 | |||
05cafb716fcb | Tim Mattox | USER-DPD: cleanup initialization of splitFDT_flag in pair_dpd_fdt.cpp | Jan 18 2017 | |||
4f2fcee6df92 | Tim Mattox | Merge branch 'master' into USER-DPD_kokkos as of 3af4b3c28 on 18 Jan. 2017… | Jan 18 2017 | |||
7fc097058708 | sjplimp/GitHub | Merge pull request #344 from timattox/USER-DPD_zero_compute | Jan 18 2017 | |||
4eb08a5822c5 | Tim Mattox | USER-DPD: Skip a0*stuff computations, if a0 was set to zero in pair_coeff. This… | Jan 17 2017 | |||
883385c8e449 | Tim Mattox | Merge branch 'master' into USER-DPD_kokkos as of patch 17Jan17 | Jan 17 2017 | |||
01609f55e2b3 | Tim Mattox | USER-DPD: bugfix for a segfault when using MOLECULE and DPD together. | Jan 17 2017 | |||
fa00e0593fc7 | Stan Gerald Moore (stamoor) | Make fix_rx request its own neighbor list | Jan 14 2017 | |||
9807062594dd | Tim Mattox | Merge branch 'pair-table-rx-inherit' of https://github.com/ibaned/lammps into… | Jan 9 2017 | |||
26d50853e96c | Tim Mattox | Merge branch 'master' as of patch 6Jan17 into USER-DPD_kokkos | Jan 9 2017 | |||
d4e8d4738769 | sjplimp/GitHub | Merge pull request #306 from timattox/USER-DPD_updates | Jan 6 2017 | |||
f6a819580c6b | Steve Plimpton | pair TIP4P bug fix for cutoffs >> box size | Jan 6 2017 | |||
d8ddef37ed54 | Dan Ibanez | put enum back in .cpp file | Jan 6 2017 | |||
70927d08e734 | Dan Ibanez/Dan Ibanez | remove duplicate enum | Jan 6 2017 | |||
3941fe9ab748 | Dan Ibanez/Dan Ibanez | fix compilation | Jan 6 2017 | |||
318ab9a18506 | Dan Ibanez/Dan Ibanez | trying PairTableRX : public PairTable | Jan 6 2017 | |||
8503ac22a859 | Christopher Stone | Fixed error->all instead of error->one bug in USER-DPD/fix_shardlow.cpp. | Jan 5 2017 | |||
f220b07625b7 | Stan Moore | Updating pair_exp6_rx_kokkos to USER-DPD changes | Jan 3 2017 | |||
cc1b55e0310a | Stan Moore | Merging USER-DPD updates | Dec 23 2016 | |||
a1036f2d74be | Tim Mattox | USER-DPD: bugfix for new PairExp6rx::polynomialScaling() function. | Dec 23 2016 | |||
3faa57a413d2 | Tim Mattox | USER-DPD: Several updates to *_rx files: 1) Added MY_EPSILON to handle machine… | Dec 22 2016 | |||
fa435fb51464 | Tim Mattox | USER-DPD: remove unused variable, and convert some constants to MY_EPSILON | Dec 22 2016 | |||
a4ab877c4672 | Stan Moore | Change to allow pair_dpd_fdt_energy_kokkos | Dec 22 2016 | |||
f6fe61196da6 | Stan Moore | CPU runtime tested version of pair_multi_lucy_rx_kokkos | Dec 22 2016 | |||
07bee3900295 | Tim Mattox | Merge branch 'USER-DPD_whitespace' into USER-DPD_kokkos | Dec 20 2016 | |||
c4e02a5d2b60 | Tim Mattox | USER-DPD: more whitespace fixes | Dec 20 2016 | |||
889ee78f8ba0 | Stan Moore | Change necessary for pair_exp6_rx_kokkos to compile on GPU | Dec 20 2016 | |||
99910fc43241 | Stan Moore | Adding CPU runtime tested version of pair_dpd_fdt_energy_kokkos | Dec 19 2016 | |||
3f1f51c1c755 | Stan Moore | Changes necessary for runtime testing of Kokkos styles | Dec 19 2016 | |||
2ba424e1a36e | Tim Mattox | USER-DPD: Whitespace cleanup to pair_dpd_fdt_energy.cpp | Dec 19 2016 | |||
ac57f4721cea | Stan Moore | Small whitespace tweak to pair_dpd_fdt_energy | Dec 17 2016 | |||
5cae3eca8c43 | Stan Moore | Whitespace cleanup to pair_dpd_fdt_energy, should be cherry-picked to Master | Dec 17 2016 | |||
8474453efdd1 | Tim Mattox | Merge branch 'master' into USER-DPD_kokkos: as of 17Dec16 patch | Dec 16 2016 | |||
d93e3d1cee93 | Stan Moore | Fixing runtime issues with pair_exp6_rx_kokkos | Dec 16 2016 | |||
eff7238ff224 | Tim Mattox | USER-DPD: fix_eos*: partition all internal energy into the uMech term only This… | Dec 16 2016 | |||
126fb22e9355 | Tim Mattox | USER-DPD: Fix #define typo in pair_multi_lucy.h and pair_multi_lucy_rx.h | Dec 16 2016 | |||
0a90492c4447 | Tim Mattox | USER-DPD: Update the header files to properly document all error statements… | Dec 15 2016 | |||
fed629c23e56 | Tim Mattox | USER-DPD: Bugfix for fix_rx and fix_eos_table_rx to handle restart files. Patch… | Dec 15 2016 | |||
925481c3f40d | Tim Mattox | USER-DPD: Fix hard-wall force interaction bug, and ensure fraction is >= 0… | Dec 15 2016 | |||
c0d6cbbdd3f1 | Stan Moore | Updates to Kokkos files | Dec 15 2016 | |||
d47c6b276105 | Stan Moore | Merge branch 'master' into USER-DPD_kokkos | Dec 14 2016 | |||
f93c62d3e203 | Stan Moore | Reverting accidental change | Dec 14 2016 | |||
1dbf6d443f45 | Stan Moore | Adding Kokkos files | Dec 14 2016 | |||
5187cb97e5f1 | Tim Mattox | USER-DPD: Make fix_shardlow request its own SSA-specific neighbor list, instead… | Dec 9 2016 | |||
39a12b15d7ea | Axel Kohlmeyer | Merge branch 'master' into new-neighbor | Dec 7 2016 | |||
3f68d370b505 | Tim Mattox | Merge branch 'master' into USER-DPD_kokkos: up to date to 30Nov16 patch | Nov 30 2016 | |||
6e6776f39635 | Tim Mattox | Finish moving/integrating atom_vec_dpd_kokkos into the Kokkos package | Nov 30 2016 | |||
6d94439cfe6f | Stan Moore | Integrating pair_dpd_fdt_energy_kokkos files | Nov 28 2016 | |||
91e38720d5d6 | Stan Moore | Adding pair_exp6_rx_kokkos files | Nov 28 2016 | |||
8f7815720229 | Tim Mattox | USER-DPD: aplly unpack_comm_hybrid bugfix d31121b to atom_vec_dpd_kokkos.cpp | Nov 21 2016 | |||
1d939231a49d | Tim Mattox | USER-DPD: initial Kokkos port, first steps from Aug 24th ARL Kokkos hackathon… | Nov 21 2016 | |||
e175a18bdbd0 | Axel Kohlmeyer | be more thorough in initializing optional data in pair style dpd/fdt/energy | Nov 18 2016 | |||
616420cda841 | Anders Hafreager | Initializing pointers in USER-DIFFRACTION and USER-DPD | Nov 7 2016 | |||
35753b8f089e | Axel Kohlmeyer | add error location propagation to force->bounds() and force->boundsbig() | Oct 26 2016 | |||
909ec2c09658 | Axel Kohlmeyer | remove unused class members | Oct 14 2016 | |||
fcb52710267a | Tim Mattox | USER-DPD: Initialize the dpdThetaLocal array consistently in fix_rx | Oct 12 2016 | |||
4958e114bac6 | Tim Mattox | USER-DPD bugfix: Properly initialize the local temperature averaging array. | Oct 12 2016 | |||
4a5d9eaae23c | sjplimp/GitHub | Merge pull request #217 from akohlmey/small-fixes | Oct 12 2016 | |||
4e3a55047f0e | sjplimp/GitHub | Merge pull request #215 from timattox/USER-DPD_bugfix_for_dtsqrt | Oct 12 2016 | |||
c24bf512f31a | Axel Kohlmeyer | update #include statements for system includes | Oct 12 2016 | |||
adc98e07df5d | Axel Kohlmeyer | whitespace cleanup in USER-DPD | Oct 12 2016 | |||
2f07a627a27d | Tim Mattox | Forgot to remove my call to reset_dt() | Oct 11 2016 | |||
559637f4bcae | Tim Mattox | USER-DPD Bugfix: reset_dt() is not called when I thought it should be called. | Oct 11 2016 | |||
fbf7df14b55f | sjplimp/GitHub | Merge pull request #212 from timattox/USER-DPD_fix_eos_atom_style_checks | Oct 11 2016 | |||
a2b084006467 | Tim Mattox | USER-DPD: Add atom_style compatibility checks in fix_eos_*.cpp files. | Oct 10 2016 | |||
9507a786f013 | Tim Mattox | USER-DPD: whitespace and indentation fixes | Oct 7 2016 |
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