ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7437 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2012-01-06 17:49:42 +00:00
parent bc9971341f
commit a10a777640
40 changed files with 402 additions and 134 deletions
Download Patch File Download Diff File Expand all files Collapse all files

26
src/fix_deposit.cpp
View File

@ -61,6 +61,7 @@ FixDeposit::FixDeposit(LAMMPS *lmp, int narg, char **arg) :
rateflag = 0;
vxlo = vxhi = vylo = vyhi = vzlo = vzhi = 0.0;
scaleflag = 1;
targetflag = 0;
// read options from end of input line
@ -125,6 +126,9 @@ FixDeposit::FixDeposit(LAMMPS *lmp, int narg, char **arg) :
vyhi *= yscale;
vzlo *= zscale;
vzhi *= zscale;
tx *= xscale;
ty *= yscale;
tz *= zscale;
// random number generator, same for all procs
@ -284,6 +288,21 @@ void FixDeposit::pre_exchange()
double vytmp = vylo + random->uniform() * (vyhi-vylo);
double vztmp = vzlo + random->uniform() * (vzhi-vzlo);
// if we have a sputter target change velocity vector accordingly
if (targetflag) {
double vel = sqrt(vxtmp*vxtmp + vytmp*vytmp + vztmp*vztmp);
delx = tx - coord[0];
dely = ty - coord[1];
delz = tz - coord[2];
double rsq = delx*delx + dely*dely + delz*delz;
if (rsq > 0.0) {
double rinv = sqrt(1.0/rsq);
vxtmp = delx*rinv*vel;
vytmp = dely*rinv*vel;
vztmp = delz*rinv*vel;
}
}
// check if new atom is in my sub-box or above it if I'm highest proc
// if so, add to my list via create_atom()
// initialize info about the atoms
@ -419,6 +438,13 @@ void FixDeposit::options(int narg, char **arg)
else if (strcmp(arg[iarg+1],"lattice") == 0) scaleflag = 1;
else error->all(FLERR,"Illegal fix deposit command");
iarg += 2;
} else if (strcmp(arg[iarg],"target") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal fix deposit command");
tx = atof(arg[iarg+1]);
ty = atof(arg[iarg+2]);
tz = atof(arg[iarg+3]);
targetflag = 1;
iarg += 4;
} else error->all(FLERR,"Illegal fix deposit command");
}
}