forked from lijiext/lammps
whitespace fixes
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edfb4076ff
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@ -140,12 +140,12 @@ nadapt(0), id_fix_diam(NULL), id_fix_chg(NULL), adapt(NULL)
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} else error->all(FLERR,"Illegal fix adapt command");
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} else error->all(FLERR,"Illegal fix adapt command");
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nadapt++;
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nadapt++;
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iarg += 2;
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iarg += 2;
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} else if (strcmp(arg[iarg],"atom") == 0) {
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} else if (strcmp(arg[iarg],"atom") == 0) {
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if (iarg+3 > narg) error->all(FLERR,"Illegal fix adapt command");
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if (iarg+3 > narg) error->all(FLERR,"Illegal fix adapt command");
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adapt[nadapt].which = ATOM;
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adapt[nadapt].which = ATOM;
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if (strcmp(arg[iarg+1],"diameter") == 0 ||
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if (strcmp(arg[iarg+1],"diameter") == 0 ||
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strcmp(arg[iarg+1],"diameter/disc") == 0) {
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strcmp(arg[iarg+1],"diameter/disc") == 0) {
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adapt[nadapt].aparam = DIAMETER;
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adapt[nadapt].aparam = DIAMETER;
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diamflag = 1;
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diamflag = 1;
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discflag = 0;
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discflag = 0;
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@ -195,10 +195,10 @@ nadapt(0), id_fix_diam(NULL), id_fix_chg(NULL), adapt(NULL)
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// if scaleflag set with diameter or charge adaptation,
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// if scaleflag set with diameter or charge adaptation,
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// then previous step scale factors are written to restart file
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// then previous step scale factors are written to restart file
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// initialize them here in case one is used and other is never defined
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// initialize them here in case one is used and other is never defined
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if (scaleflag && (diamflag || chgflag)) restart_global = 1;
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if (scaleflag && (diamflag || chgflag)) restart_global = 1;
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previous_diam_scale = previous_chg_scale = 1.0;
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previous_diam_scale = previous_chg_scale = 1.0;
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// allocate pair style arrays
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// allocate pair style arrays
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int n = atom->ntypes;
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int n = atom->ntypes;
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@ -452,7 +452,7 @@ void FixAdapt::init()
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}
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}
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}
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}
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}
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}
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if (restart_reset) restart_reset = 0;
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if (restart_reset) restart_reset = 0;
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// make copy of original pair/bond array values
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// make copy of original pair/bond array values
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@ -608,7 +608,7 @@ void FixAdapt::change_settings()
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else radius[i] = 0.5*value;
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else radius[i] = 0.5*value;
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}
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}
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}
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}
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if (scaleflag) previous_diam_scale = value;
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if (scaleflag) previous_diam_scale = value;
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// reset charge to new value, for both owned and ghost atoms
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// reset charge to new value, for both owned and ghost atoms
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@ -621,15 +621,15 @@ void FixAdapt::change_settings()
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int nlocal = atom->nlocal;
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int nlocal = atom->nlocal;
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int nall = nlocal + atom->nghost;
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int nall = nlocal + atom->nghost;
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if (scaleflag) scale = value / previous_chg_scale;
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if (scaleflag) scale = value / previous_chg_scale;
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for (i = 0; i < nall; i++) {
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for (i = 0; i < nall; i++) {
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if (mask[i] & groupbit) {
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if (mask[i] & groupbit) {
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if (scaleflag) q[i] *= scale;
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if (scaleflag) q[i] *= scale;
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else q[i] = value;
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else q[i] = value;
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}
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}
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}
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}
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if (scaleflag) previous_chg_scale = value;
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if (scaleflag) previous_chg_scale = value;
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}
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}
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}
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}
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@ -745,7 +745,7 @@ void FixAdapt::set_arrays(int i)
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void FixAdapt::write_restart(FILE *fp)
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void FixAdapt::write_restart(FILE *fp)
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{
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{
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int size = 2*sizeof(double);
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int size = 2*sizeof(double);
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fwrite(&size,sizeof(int),1,fp);
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fwrite(&size,sizeof(int),1,fp);
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fwrite(&previous_diam_scale,sizeof(double),1,fp);
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fwrite(&previous_diam_scale,sizeof(double),1,fp);
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fwrite(&previous_chg_scale,sizeof(double),1,fp);
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fwrite(&previous_chg_scale,sizeof(double),1,fp);
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@ -758,7 +758,7 @@ void FixAdapt::write_restart(FILE *fp)
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void FixAdapt::restart(char *buf)
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void FixAdapt::restart(char *buf)
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{
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{
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double *dbuf = (double *) buf;
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double *dbuf = (double *) buf;
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previous_diam_scale = dbuf[0];
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previous_diam_scale = dbuf[0];
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previous_chg_scale = dbuf[1];
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previous_chg_scale = dbuf[1];
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}
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}
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