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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5023 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-10-12 17:58:40 +00:00
parent a7c21670c8
commit 544dde674b
15 changed files with 608 additions and 503 deletions
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10
src/fix_wall_harmonic.cpp
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@ -24,11 +24,13 @@ FixWallHarmonic::FixWallHarmonic(LAMMPS *lmp, int narg, char **arg) :
FixWall(lmp, narg, arg) {}
/* ----------------------------------------------------------------------
interaction of all particles in group with all 6 walls (if defined)
interaction of all particles in group with a wall
m = index of wall coeffs
which = xlo,xhi,ylo,yhi,zlo,zhi
error if any particle is on or behind wall
------------------------------------------------------------------------- */
void FixWallHarmonic::wall_particle(int m, double coord)
void FixWallHarmonic::wall_particle(int m, int which, double coord)
{
double delta,dr,fwall;
@ -37,8 +39,8 @@ void FixWallHarmonic::wall_particle(int m, double coord)
int *mask = atom->mask;
int nlocal = atom->nlocal;
int dim = m/2;
int side = m % 2;
int dim = which / 2;
int side = which % 2;
if (side == 0) side = -1;
int onflag = 0;