git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10846 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2013-10-02 13:29:44 +00:00
parent 51191ebdc0
commit ada81ca2e0
2 changed files with 11 additions and 3 deletions

View File

@ -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

View File

@ -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