- Jul 25, 2018
-
-
Steven J. Plimpton authored
-
Steve Plimpton authored
Re-allow commands after an exception was caught inside a run.
-
Steve Plimpton authored
new checksum for LATTE download
-
Steve Plimpton authored
Fixed bugs to the tersoff gpu styles for OpenCL builds and some maintenance
-
Steve Plimpton authored
Fixes #995: Added tail correction to fix gcmc
-
Steve Plimpton authored
Doc Reorganization - Tools Section
-
Steven J. Plimpton authored
-
Richard Berger authored
-
Richard Berger authored
-
Axel Kohlmeyer authored
after an exception "all bets are off", i.e. the user should be allowed to do anything to recover. through setting Update::whichflag to 0, the guard against running commands during a run is removed.
-
- Jul 24, 2018
-
-
Steven J. Plimpton authored
-
Steven J. Plimpton authored
-
Steven J. Plimpton authored
-
Marshall McDonnell authored
-
- Jul 23, 2018
-
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Steven J. Plimpton authored
-
- Jul 22, 2018
-
-
Trung Nguyen authored
Fixed bugs with time_q and time_quat not calling start() and stop() when _charge and/or _rot in Atom are true for OpenCL builds
-
Trung Nguyen authored
-
Trung Nguyen authored
Renamed dev_acc to dev_ilist for better description and updated the 3-body styles accordingly; also fixed bugs with accessing dev_packed from the three_end kernel of tersoff/mod and tersoff/zbl gpu styles for OpenCL builds
-
- Jul 21, 2018
-
-
Trung Nguyen authored
-
Trung Nguyen authored
-
Trung Nguyen authored
-
- Jul 20, 2018
-
-
Steve Plimpton authored
Discrete element models for the BODY package
-
Steve Plimpton authored
OpenCL related fixes and improvements to the GPU package
-
Steve Plimpton authored
Fixes a memory leak when using OpenCL
-
Axel Kohlmeyer authored
- document previously undocumented OpenCL tune settings - implement OpenCL platform selection through prefixing the device type with the platform id separated by a colon - allow passing custom tune parameters though postfixing the device type with the 13 tuneable parameters separated by commas - remove an extra clear() that would delete device properties structs an cause LAMMPS to output garbage strings
-
- Jul 19, 2018
-
-
Steve Plimpton authored
USER-DPD: propagate a minor performance bugfix throughout the DPDE code
-
- Jul 18, 2018
-
-
Richard Berger authored
The GPU package uses OpenCL events for measuring time. These have to be released to free up memory. I removed the clReleaseEvent() calls in the clear() method because in some cases they don't exist yet and I couldn't find a way to check for a valid event (clRetainEvent didn't work). This at least fixes the massive leak during simulations. See issue #1006
-
Axel Kohlmeyer authored
-
Steven J. Plimpton authored
-
Tim Mattox authored
The fix_shardlow_kokkos.cpp code had already factored out a redundant sqrt() calculation in the innermost loop of ssa_update_dpde(). This changeset propagates an equivilent optimization to: fix_shardlow.cpp pair_dpd_fdt_energy.cpp pair_dpd_fdt_energy_kokkos.cpp The alpha_ij variable was really just an [itype][jtype] lookup parameter, replacing a sqrt() and two multiplies per interacting particle pair by a cached memory read. Even if there isn't much time savings, the code is now consistent across the various versions.
-
Steven J. Plimpton authored
-
- Jul 17, 2018
-
-
Trung Nguyen authored
-
Trung Nguyen authored
+ added examples for special cases with disks and rods for 2d, and spheres and rods for 3d, + corrected the definition of the cutoff distance in pair style command
-
Steven J. Plimpton authored
-
- Jul 16, 2018
-
-
Steve Plimpton authored
include support for 'extra/XXX/per/atom' info in restart files
-
Steven J. Plimpton authored
-
Axel Kohlmeyer authored
-