From ada81ca2e0553e3b799f9d71c99b0d56b706a301 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 2 Oct 2013 13:29:44 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10846 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/fix_efield.txt | 10 +++++++++- examples/USER/sph/water_collapse/water_collapse.lmp | 4 ++-- 2 files changed, 11 insertions(+), 3 deletions(-) diff --git a/doc/fix_efield.txt b/doc/fix_efield.txt index 6d57a43449..0e0a432df7 100644 --- a/doc/fix_efield.txt +++ b/doc/fix_efield.txt @@ -17,7 +17,9 @@ efield = style name of this fix command :l ex,ey,ez = E-field component values (electric field units) :l any of ex,ey,ez can be a variable (see below) :l zero or more keyword/value pairs may be appended to args :l -keyword = {energy} :l +keyword = {region} or {energy} :l + {region} value = region-ID + region-ID = ID of region atoms must be in to have added force {energy} value = v_name v_name = variable with name that calculates the potential energy of each atom in the added E-field :pre :ule @@ -57,6 +59,10 @@ variables but can also include per-atom values, such as atom coordinates. Thus it is easy to specify a spatially-dependent E-field with optional time-dependence as well. +If the {region} keyword is used, the atom must also be in the +specified geometric "region"_region.html in order to have force added +to it. + :line Adding a force or torque to atoms implies a change in their potential @@ -102,6 +108,8 @@ due to the electric field were a spring-like F = kx, then the energy formula should be E = -0.5kx^2. If you don't do this correctly, the minimization will not converge properly. +:line + [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff --git a/examples/USER/sph/water_collapse/water_collapse.lmp b/examples/USER/sph/water_collapse/water_collapse.lmp index f259da6a36..46182835db 100644 --- a/examples/USER/sph/water_collapse/water_collapse.lmp +++ b/examples/USER/sph/water_collapse/water_collapse.lmp @@ -1,4 +1,4 @@ -processors 4 1 1 # manually assign processors to spatial regions +processors * 1 1 # manually assign processors to spatial regions atom_style meso dimension 2 newton on @@ -39,7 +39,7 @@ fix integrate_bc_fix bc meso/stationary dump dump_id all custom 100 dump.lammpstrj id type xs ys zs c_rho_peratom c_e_peratom fx fy dump_modify dump_id first yes thermo 10 -thermo_style custom step ke c_esph v_etot f_gfix press f_dtfix[1] f_dtfix +thermo_style custom step ke c_esph v_etot f_gfix press time f_dtfix thermo_modify norm no neigh_modify every 5 delay 0 check no