- Jan 20, 2017
-
-
Steve Plimpton authored
-
- Jan 18, 2017
-
-
Tim Mattox authored
This relates to commit 4eb08a58 that was applied to pair_dpd_fdt_energy
-
Tim Mattox authored
-
- Jan 17, 2017
-
-
Tim Mattox authored
This saves around 10% of the runtime for many of our tests using SSA.
-
Tim Mattox authored
-
- Jan 14, 2017
-
-
Stan Gerald Moore (stamoor) authored
-
- Jan 06, 2017
-
-
Steve Plimpton authored
-
- Dec 23, 2016
-
-
Tim Mattox authored
-
- Dec 22, 2016
-
-
Tim Mattox authored
1) Added MY_EPSILON to handle machine precision checks 2) Removed error checks for DPD-RX; enabled use with DPD-E simulations 3) Expanded the EOS functional form to allow corrections in the thermo file or on the command line 4) Updated naming convention from fraction to mixWtSite* 5) Changed the name of getParams() method to getMixingWeights() 6) getMixingWeights() now handles fractional and molecular weighting 7) Added optional argument (fractional or molecular) to pair_style command 8) Added argument to specify the exp6 parameter scaling method NOTE: Requires additional arguments in the pair coefficients, thus command line areguments are NOT backward-compatible.
-
Tim Mattox authored
-
- Dec 20, 2016
-
-
Tim Mattox authored
-
- Dec 19, 2016
-
-
Tim Mattox authored
-
- Dec 16, 2016
-
-
Tim Mattox authored
This makes our results more closely match a vetted serial implementation. NOTE: This does make the output different from any previous versions. Patch by Jim Larentzos. Applied by Tim Mattox.
-
Tim Mattox authored
-
- Dec 15, 2016
-
-
Tim Mattox authored
Patch by Jim Larentzos. Applied by Tim Mattox.
-
Tim Mattox authored
Patch by Jim Larentzos. Applied by Tim Mattox.
-
Tim Mattox authored
pair_exp6_rx.cpp patch by Jim Larentzos. Applied by Tim Mattox.
-
- Dec 09, 2016
-
-
Tim Mattox authored
instead of having pair_dpd_fdt* make the SSA-neighbor list request for it. Forces an "extra" list to be built, but now skip lists work properly. Maybe we can detect if skip lists won't be used, and squash the extra list.
-
- Nov 18, 2016
-
-
Axel Kohlmeyer authored
-
- Nov 07, 2016
-
-
Anders Hafreager authored
-
- Oct 26, 2016
-
-
Axel Kohlmeyer authored
-
- Oct 14, 2016
-
-
Axel Kohlmeyer authored
-
- Oct 12, 2016
-
-
Tim Mattox authored
-
Tim Mattox authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
- Oct 11, 2016
-
-
Tim Mattox authored
-
Tim Mattox authored
Move the calculation of dtsqrt inside FixShardlow::initial_integrate()
-
- Oct 10, 2016
-
-
Tim Mattox authored
-
- Oct 07, 2016
-
-
Tim Mattox authored
-
Tim Mattox authored
Includes documentation and examples. NOTE: VV requires very small timesteps under isoenergetic conditions. Consider using fix_shardlow instead, since this VV support is primarily for comparison purposes.
-
- Oct 06, 2016
-
-
Tim Mattox authored
-
Tim Mattox authored
-
Axel Kohlmeyer authored
-
- Sep 09, 2016
-
-
Axel Kohlmeyer authored
-
Tim Mattox authored
-
Tim Mattox authored
-
Tim Mattox authored
Removes most SSA specific fields from class NeighList.
-
- Sep 07, 2016
-
-
Steve Plimpton authored
-
- Jul 22, 2016
-
-
sjplimp authored
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15355 f3b2605a-c512-4ea7-a41b-209d697bcdaa
-