Commit Graph

14 Commits

Author SHA1 Message Date
382ade15fe more consistent formatting of for/while loops and if statements 2020-12-30 09:09:08 -05:00
adf74b3a22 use https://lammps.sandia.gov based URLs consistently 2020-10-21 16:45:30 -04:00
0183e999c9 consistently return "memory_usage" as double. 2020-09-15 01:59:58 -04:00
0f691de031 include file cleanup in some more packages 2019-07-10 01:18:34 -04:00
f25bfd5931 consistent formatting: replace "if( XXX )" with "if (XXX)" 2018-12-29 17:04:28 -05:00
4b3197202b USER-DPD: Rework SSA to use a new neighbor list structure, ready for Kokkos
NOTE: pair evaluation order changes, causing numerical differences!
Atom pair processing order is fully planned out in npair_half_bin_newton_ssa
Makes the SSA neighbor list structure very different. Do not use by others!
Each local is in ilist, numneigh, and firstneigh four times instead of once.

Changes LAMMPS core code that had been previously changed for USER-DPD/SSA:
Removes ssaAIR[] from class Atom as it is now unused.
Removes ndxAIR_ssa[] from class NeighList as it is now unused.
Increases length of ilist[], numneigh[], and firstneigh[] if SSA flag set.
2017-02-22 15:08:21 -05:00
ce2da5068b USER-DPD: renumber AIRs back to 1-7 for ghosts, and just 0 for locals.
This removes the the distinction between pure and impure locals.
Pure and impure locals messed up the directionality of half neighbor lists,
which turns out is crucial to the approach for SSA with kokkos.
2017-02-22 15:08:19 -05:00
641bb4bb16 USER-DPD: remove use of ssaAIR[], move coord2ssaAIR() to nbin_ssa.cpp
Saves an int per atom and ghost, also simplifies and reduces code size.
2017-02-22 15:08:19 -05:00
3dddeef365 USER-DPD: remove unneeded gairct_ssa[] & anum vars, and some > 0 guards 2017-02-22 15:08:19 -05:00
e42678ed51 USER-DPD: track & use the extent of the local atoms in the bins 2017-02-22 15:08:18 -05:00
6384486764 USER-DPD: Copy inline coord2bin() functions from nbin_kokkos into nbin_ssa 2017-02-22 15:08:17 -05:00
0512e78860 USER-DPD: new neighbor list code for SSA that gives neighbors to ghosts.
This simplifies the processing of the neighbor list in fix_shardlow.
NOTE: pair evaluation order changes, causing numerical differences!
2017-02-22 15:08:17 -05:00
9a299875da simplified neighbor list copying to avoid possible same-timestep re-build issues 2017-01-19 17:01:15 -07:00
8ed3f4226e USER-DPD: move custom binning stuff to a NBinSSA child class.
Removes most SSA specific fields from class NeighList.
2016-09-09 12:19:06 -04:00