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implement mass keyword to turn off/on change in rmass when diameter is changed

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This commit is contained in:
Jibril B. Coulibaly
2020-06-23 12:48:57 -05:00
parent b923037644
commit 47ebd8a3d9
3 changed files with 41 additions and 24 deletions
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39
src/fix_adapt.cpp
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@ -167,6 +167,7 @@ nadapt(0), id_fix_diam(NULL), id_fix_chg(NULL), adapt(NULL)
resetflag = 0;
scaleflag = 0;
massflag = 1;
while (iarg < narg) {
if (strcmp(arg[iarg],"reset") == 0) {
@ -181,6 +182,12 @@ nadapt(0), id_fix_diam(NULL), id_fix_chg(NULL), adapt(NULL)
else if (strcmp(arg[iarg+1],"yes") == 0) scaleflag = 1;
else error->all(FLERR,"Illegal fix adapt command");
iarg += 2;
} else if (strcmp(arg[iarg],"mass") == 0) {
if (iarg+2 > narg)error->all(FLERR,"Illegal fix adapt command");
if (strcmp(arg[iarg+1],"no") == 0) massflag = 0;
else if (strcmp(arg[iarg+1],"yes") == 0) massflag = 1;
else error->all(FLERR,"Illegal fix adapt command");
iarg += 2;
} else error->all(FLERR,"Illegal fix adapt command");
}
@ -598,17 +605,19 @@ void FixAdapt::change_settings()
int nlocal = atom->nlocal;
int nall = nlocal + atom->nghost;
if (scaleflag) scale = value / previous_diam_scale;
for (i = 0; i < nall; i++) {
if (mask[i] & groupbit) {
if(!scaleflag) scale = 0.5*value / radius[i];
if (scaleflag) radius[i] *= scale;
else radius[i] = 0.5*value;
if (discflag) rmass[i] *= scale*scale;
else rmass[i] *= scale*scale*scale;
}
}
if (scaleflag) scale = value / previous_diam_scale;
for (i = 0; i < nall; i++) {
if (mask[i] & groupbit) {
if (massflag) {
if (!scaleflag) scale = 0.5*value / radius[i];
if (discflag) rmass[i] *= scale*scale;
else rmass[i] *= scale*scale*scale;
}
if (scaleflag) radius[i] *= scale;
else radius[i] = 0.5*value;
}
}
if (scaleflag) previous_diam_scale = value;
@ -704,10 +713,12 @@ void FixAdapt::restore_settings()
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
if(!scaleflag) scale = vec[i] / radius[i];
if (massflag) {
if (!scaleflag) scale = vec[i] / radius[i];
if (discflag) rmass[i] *= scale*scale;
else rmass[i] *= scale*scale*scale;
}
radius[i] = vec[i];
if (discflag) rmass[i] *= scale*scale;
else rmass[i] *= scale*scale*scale;
}
}
if (chgflag) {