Bug in fix_wall_region.cpp

Submitted by tapsab on Thu, 09/22/2011 - 08:16

There is a bug in the harmonic option for fix_wall_region.cpp as discussed in the following thread

"http://lammps.sandia.gov/threads/msg19287.html"

The code for void FixWallRegion::harmonic(double r) should be changed to

void FixWallRegion::harmonic(double r)
{
double dr = cutoff - r;
fwall = 2.0*epsilon*dr;
eng = epsilon*dr*dr;
}

The latest version of the lammps code has the patch in place but its missing in the liggghts code.

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ckloss's picture

ckloss | Thu, 09/22/2011 - 08:41

thank you! will be added in the next version (today or tomorrow)

Cheers,
Christoph

PS: There will be a major merge with LAMMPS in the course of the next half year. Afterwards, LIGGGHTS will be coupled to lammps more tightly