Loading doc/src/fix_adapt.rst +15 −9 Original line number Diff line number Diff line Loading @@ -35,7 +35,7 @@ Syntax v_name = variable with name that calculates value of aparam * zero or more keyword/value pairs may be appended * keyword = *scale* or *reset* * keyword = *scale* or *reset* or *mass* .. parsed-literal:: Loading @@ -45,6 +45,9 @@ Syntax *reset* value = *no* or *yes* *no* = values will remain altered at the end of a run *yes* = reset altered values to their original values at the end of a run *mass* value = *no* or *yes* *no* = mass is not altered by changes in diameter *yes* = mass is altenred by changes in diameter Examples """""""" Loading Loading @@ -334,13 +337,16 @@ corresponding attribute for all atoms in the fix group. If the atom parameter is *diameter* and per-atom density and per-atom mass are defined for particles (e.g. :doc:`atom_style granular <atom_style>`), then the mass of each particle is also changed when the diameter changes. The mass is set from the particle volume for 3d systems (density is assumed to stay constant). For 2d, the default is for LAMMPS to model particles with a radius attribute as spheres. However, if the atom parameter is *diameter/disc*, then the mass is set from the particle area (the density is assumed to be in mass/distance^2 units). <atom_style>`), then the mass of each particle is, by default, also changed when the diameter changes. The mass is set from the particle volume for 3d systems (density is assumed to stay constant). For 2d, the default is for LAMMPS to model particles with a radius attribute as spheres. However, if the atom parameter is *diameter/disc*, then the mass is set from the particle area (the density is assumed to be in mass/distance^2 units). The mass of the particle may also be kept constant if the *mass* keyword is set to *no*. This can be useful to account for diameter changes that do not involve mass changes, e.g., thermal expansion. For example, these commands would shrink the diameter of all granular particles in the "center" group from 1.0 to 0.1 in a linear fashion Loading Loading @@ -426,4 +432,4 @@ Related commands Default """"""" The option defaults are scale = no, reset = no. The option defaults are scale = no, reset = no, mass = yes. src/fix_adapt.cpp +25 −14 Original line number Diff line number Diff line Loading @@ -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) { Loading @@ -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"); } Loading Loading @@ -602,12 +609,14 @@ void FixAdapt::change_settings() for (i = 0; i < nall; i++) { if (mask[i] & groupbit) { if (massflag) { 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) radius[i] *= scale; else radius[i] = 0.5*value; } } if (scaleflag) previous_diam_scale = value; Loading Loading @@ -704,11 +713,13 @@ void FixAdapt::restore_settings() for (int i = 0; i < nlocal; i++) if (mask[i] & groupbit) { if (massflag) { if (!scaleflag) scale = vec[i] / radius[i]; radius[i] = vec[i]; if (discflag) rmass[i] *= scale*scale; else rmass[i] *= scale*scale*scale; } radius[i] = vec[i]; } } if (chgflag) { double *vec = fix_chg->vstore; Loading src/fix_adapt.h +1 −1 Original line number Diff line number Diff line Loading @@ -44,7 +44,7 @@ class FixAdapt : public Fix { void restart(char *); private: int nadapt,resetflag,scaleflag; int nadapt,resetflag,scaleflag,massflag; int anypair, anybond; int nlevels_respa; char *id_fix_diam,*id_fix_chg; Loading Loading
doc/src/fix_adapt.rst +15 −9 Original line number Diff line number Diff line Loading @@ -35,7 +35,7 @@ Syntax v_name = variable with name that calculates value of aparam * zero or more keyword/value pairs may be appended * keyword = *scale* or *reset* * keyword = *scale* or *reset* or *mass* .. parsed-literal:: Loading @@ -45,6 +45,9 @@ Syntax *reset* value = *no* or *yes* *no* = values will remain altered at the end of a run *yes* = reset altered values to their original values at the end of a run *mass* value = *no* or *yes* *no* = mass is not altered by changes in diameter *yes* = mass is altenred by changes in diameter Examples """""""" Loading Loading @@ -334,13 +337,16 @@ corresponding attribute for all atoms in the fix group. If the atom parameter is *diameter* and per-atom density and per-atom mass are defined for particles (e.g. :doc:`atom_style granular <atom_style>`), then the mass of each particle is also changed when the diameter changes. The mass is set from the particle volume for 3d systems (density is assumed to stay constant). For 2d, the default is for LAMMPS to model particles with a radius attribute as spheres. However, if the atom parameter is *diameter/disc*, then the mass is set from the particle area (the density is assumed to be in mass/distance^2 units). <atom_style>`), then the mass of each particle is, by default, also changed when the diameter changes. The mass is set from the particle volume for 3d systems (density is assumed to stay constant). For 2d, the default is for LAMMPS to model particles with a radius attribute as spheres. However, if the atom parameter is *diameter/disc*, then the mass is set from the particle area (the density is assumed to be in mass/distance^2 units). The mass of the particle may also be kept constant if the *mass* keyword is set to *no*. This can be useful to account for diameter changes that do not involve mass changes, e.g., thermal expansion. For example, these commands would shrink the diameter of all granular particles in the "center" group from 1.0 to 0.1 in a linear fashion Loading Loading @@ -426,4 +432,4 @@ Related commands Default """"""" The option defaults are scale = no, reset = no. The option defaults are scale = no, reset = no, mass = yes.
src/fix_adapt.cpp +25 −14 Original line number Diff line number Diff line Loading @@ -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) { Loading @@ -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"); } Loading Loading @@ -602,12 +609,14 @@ void FixAdapt::change_settings() for (i = 0; i < nall; i++) { if (mask[i] & groupbit) { if (massflag) { 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) radius[i] *= scale; else radius[i] = 0.5*value; } } if (scaleflag) previous_diam_scale = value; Loading Loading @@ -704,11 +713,13 @@ void FixAdapt::restore_settings() for (int i = 0; i < nlocal; i++) if (mask[i] & groupbit) { if (massflag) { if (!scaleflag) scale = vec[i] / radius[i]; radius[i] = vec[i]; if (discflag) rmass[i] *= scale*scale; else rmass[i] *= scale*scale*scale; } radius[i] = vec[i]; } } if (chgflag) { double *vec = fix_chg->vstore; Loading
src/fix_adapt.h +1 −1 Original line number Diff line number Diff line Loading @@ -44,7 +44,7 @@ class FixAdapt : public Fix { void restart(char *); private: int nadapt,resetflag,scaleflag; int nadapt,resetflag,scaleflag,massflag; int anypair, anybond; int nlevels_respa; char *id_fix_diam,*id_fix_chg; Loading
