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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4766 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-09-10 17:08:44 +00:00
parent edf05df900
commit 66178b66ab
4 changed files with 235 additions and 74 deletions
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7
src/fix_adapt.cpp
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@ -71,6 +71,7 @@ FixAdapt::FixAdapt(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
// parse keywords
diamflag = 0;
nadapt = 0;
iarg = 4;
@ -99,6 +100,7 @@ FixAdapt::FixAdapt(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
int n = strlen(arg[iarg+1]) + 1;
param[nadapt] = new char[n];
strcpy(param[nadapt],arg[iarg+1]);
if (strcmp(param[nadapt],"diameter") == 0) diamflag = 1;
if (strstr(arg[iarg+2],"v_") == arg[iarg+2]) {
n = strlen(&arg[iarg+2][2]) + 1;
var[nadapt] = new char[n];
@ -201,7 +203,7 @@ void FixAdapt::pre_force(int vflag)
else if (which[m] == ATOM) {
// set radius from diameter
// set rmass if both rmass and density are defined
// also set rmass if both rmass and density are defined
if (awhich[m] == DIAMETER) {
int mflag = 0;
@ -217,7 +219,8 @@ void FixAdapt::pre_force(int vflag)
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
radius[i] = 0.5*value;
rmass[i] = 4.0*PI/3.0 * radius[i]*radius[i]*radius[i] * density[i];
if (mflag) rmass[i] = 4.0*PI/3.0 *
radius[i]*radius[i]*radius[i] * density[i];
}
}
}