while space and source formatting cleanup
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@ -18,12 +18,12 @@ fstyle = style of force interactions between particles and wall :l
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possible choices: hooke, hooke/history, hertz/history, granular :pre
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possible choices: hooke, hooke/history, hertz/history, granular :pre
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fstyle_params = parameters associated with force interaction style :l
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fstyle_params = parameters associated with force interaction style :l
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For {hooke}, {hooke/history}, and {hertz/history}, {fstyle_params} are:
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For {hooke}, {hooke/history}, and {hertz/history}, {fstyle_params} are:
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Kn = elastic constant for normal particle repulsion (force/distance units or pressure units - see discussion below)
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Kn = elastic constant for normal particle repulsion (force/distance units or pressure units - see discussion below)
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Kt = elastic constant for tangential contact (force/distance units or pressure units - see discussion below)
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Kt = elastic constant for tangential contact (force/distance units or pressure units - see discussion below)
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gamma_n = damping coefficient for collisions in normal direction (1/time units or 1/time-distance units - see discussion below)
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gamma_n = damping coefficient for collisions in normal direction (1/time units or 1/time-distance units - see discussion below)
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gamma_t = damping coefficient for collisions in tangential direction (1/time units or 1/time-distance units - see discussion below)
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gamma_t = damping coefficient for collisions in tangential direction (1/time units or 1/time-distance units - see discussion below)
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xmu = static yield criterion (unitless value between 0.0 and 1.0e4)
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xmu = static yield criterion (unitless value between 0.0 and 1.0e4)
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dampflag = 0 or 1 if tangential damping force is excluded or included :pre
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dampflag = 0 or 1 if tangential damping force is excluded or included :pre
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For {granular}, {fstyle_params} are set using the same syntax as for the {pair_coeff} command of "pair_style granular"_pair_granular.html :pre
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For {granular}, {fstyle_params} are set using the same syntax as for the {pair_coeff} command of "pair_style granular"_pair_granular.html :pre
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wallstyle = {xplane} or {yplane} or {zplane} or {zcylinder} :l
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wallstyle = {xplane} or {yplane} or {zplane} or {zcylinder} :l
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args = list of arguments for a particular style :l
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args = list of arguments for a particular style :l
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@ -18,12 +18,12 @@ fstyle = style of force interactions between particles and wall :l
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possible choices: hooke, hooke/history, hertz/history, granular :pre
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possible choices: hooke, hooke/history, hertz/history, granular :pre
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fstyle_params = parameters associated with force interaction style :l
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fstyle_params = parameters associated with force interaction style :l
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For {hooke}, {hooke/history}, and {hertz/history}, {fstyle_params} are:
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For {hooke}, {hooke/history}, and {hertz/history}, {fstyle_params} are:
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Kn = elastic constant for normal particle repulsion (force/distance units or pressure units - see discussion below)
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Kn = elastic constant for normal particle repulsion (force/distance units or pressure units - see discussion below)
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Kt = elastic constant for tangential contact (force/distance units or pressure units - see discussion below)
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Kt = elastic constant for tangential contact (force/distance units or pressure units - see discussion below)
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gamma_n = damping coefficient for collisions in normal direction (1/time units or 1/time-distance units - see discussion below)
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gamma_n = damping coefficient for collisions in normal direction (1/time units or 1/time-distance units - see discussion below)
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gamma_t = damping coefficient for collisions in tangential direction (1/time units or 1/time-distance units - see discussion below)
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gamma_t = damping coefficient for collisions in tangential direction (1/time units or 1/time-distance units - see discussion below)
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xmu = static yield criterion (unitless value between 0.0 and 1.0e4)
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xmu = static yield criterion (unitless value between 0.0 and 1.0e4)
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dampflag = 0 or 1 if tangential damping force is excluded or included :pre
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dampflag = 0 or 1 if tangential damping force is excluded or included :pre
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For {granular}, {fstyle_params} are set using the same syntax as for the {pair_coeff} command of "pair_style granular"_pair_granular.html :pre
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For {granular}, {fstyle_params} are set using the same syntax as for the {pair_coeff} command of "pair_style granular"_pair_granular.html :pre
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wallstyle = region (see "fix wall/gran"_fix_wall_gran.html for options for other kinds of walls) :l
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wallstyle = region (see "fix wall/gran"_fix_wall_gran.html for options for other kinds of walls) :l
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region-ID = region whose boundary will act as wall :l,ule
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region-ID = region whose boundary will act as wall :l,ule
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@ -1161,7 +1161,7 @@ void FixWallGran::granular(double rsq, double dx, double dy, double dz,
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if (damping_model == VELOCITY) {
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if (damping_model == VELOCITY) {
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damp_normal = 1;
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damp_normal = 1;
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}
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}
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else if (damping_model == MASS_VELOCITY){
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else if (damping_model == MASS_VELOCITY) {
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damp_normal = meff;
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damp_normal = meff;
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}
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}
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else if (damping_model == VISCOELASTIC) {
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else if (damping_model == VISCOELASTIC) {
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@ -121,7 +121,7 @@ void FixWallGranRegion::init()
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region->reset_vel();
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region->reset_vel();
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}
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}
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if (motion_resetflag){
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if (motion_resetflag) {
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char str[256];
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char str[256];
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snprintf(str,256,"Region properties for region %s are inconsistent "
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snprintf(str,256,"Region properties for region %s are inconsistent "
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"with restart file, resetting its motion",idregion);
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"with restart file, resetting its motion",idregion);
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@ -190,7 +190,7 @@ void FixWallGranRegion::post_force(int /*vflag*/)
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if (mask[i] & groupbit) {
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if (mask[i] & groupbit) {
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if (!region->match(x[i][0],x[i][1],x[i][2])) continue;
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if (!region->match(x[i][0],x[i][1],x[i][2])) continue;
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if (pairstyle == GRANULAR && normal_model == JKR){
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if (pairstyle == GRANULAR && normal_model == JKR) {
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nc = region->surface(x[i][0],x[i][1],x[i][2],
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nc = region->surface(x[i][0],x[i][1],x[i][2],
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radius[i]+pulloff_distance(radius[i]));
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radius[i]+pulloff_distance(radius[i]));
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}
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}
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@ -232,8 +232,8 @@ void FixWallGranRegion::post_force(int /*vflag*/)
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rsq = region->contact[ic].r*region->contact[ic].r;
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rsq = region->contact[ic].r*region->contact[ic].r;
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if (pairstyle == GRANULAR && normal_model == JKR){
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if (pairstyle == GRANULAR && normal_model == JKR) {
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if (history_many[i][c2r[ic]][0] == 0.0 && rsq > radius[i]*radius[i]){
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if (history_many[i][c2r[ic]][0] == 0.0 && rsq > radius[i]*radius[i]) {
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for (m = 0; m < size_history; m++)
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for (m = 0; m < size_history; m++)
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history_many[i][0][m] = 0.0;
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history_many[i][0][m] = 0.0;
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continue;
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continue;
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@ -253,7 +253,7 @@ void FixWallGranRegion::post_force(int /*vflag*/)
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if (fix_rigid && mass_rigid[i] > 0.0) meff = mass_rigid[i];
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if (fix_rigid && mass_rigid[i] > 0.0) meff = mass_rigid[i];
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// store contact info
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// store contact info
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if (peratom_flag){
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if (peratom_flag) {
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array_atom[i][0] = (double)atom->tag[i];
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array_atom[i][0] = (double)atom->tag[i];
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array_atom[i][4] = x[i][0] - dx;
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array_atom[i][4] = x[i][0] - dx;
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array_atom[i][5] = x[i][1] - dy;
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array_atom[i][5] = x[i][1] - dy;
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@ -382,7 +382,7 @@ void FixWallGranRegion::copy_arrays(int i, int j, int /*delflag*/)
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{
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{
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int m,n,iwall;
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int m,n,iwall;
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if (use_history){
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if (use_history) {
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n = ncontact[i];
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n = ncontact[i];
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for (iwall = 0; iwall < n; iwall++) {
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for (iwall = 0; iwall < n; iwall++) {
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walls[j][iwall] = walls[i][iwall];
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walls[j][iwall] = walls[i][iwall];
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@ -392,7 +392,7 @@ void FixWallGranRegion::copy_arrays(int i, int j, int /*delflag*/)
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ncontact[j] = ncontact[i];
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ncontact[j] = ncontact[i];
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}
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}
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if (peratom_flag){
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if (peratom_flag) {
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for (int m = 0; m < size_peratom_cols; m++)
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for (int m = 0; m < size_peratom_cols; m++)
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array_atom[j][m] = array_atom[i][m];
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array_atom[j][m] = array_atom[i][m];
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}
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}
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@ -406,7 +406,7 @@ void FixWallGranRegion::set_arrays(int i)
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{
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{
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if (use_history)
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if (use_history)
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ncontact[i] = 0;
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ncontact[i] = 0;
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if (peratom_flag){
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if (peratom_flag) {
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for (int m = 0; m < size_peratom_cols; m++)
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for (int m = 0; m < size_peratom_cols; m++)
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array_atom[i][m] = 0;
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array_atom[i][m] = 0;
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}
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}
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@ -421,7 +421,7 @@ int FixWallGranRegion::pack_exchange(int i, double *buf)
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int m;
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int m;
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int n = 0;
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int n = 0;
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if (use_history){
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if (use_history) {
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int count = ncontact[i];
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int count = ncontact[i];
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buf[n++] = ubuf(count).d;
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buf[n++] = ubuf(count).d;
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for (int iwall = 0; iwall < count; iwall++) {
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for (int iwall = 0; iwall < count; iwall++) {
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@ -430,7 +430,7 @@ int FixWallGranRegion::pack_exchange(int i, double *buf)
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buf[n++] = history_many[i][iwall][m];
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buf[n++] = history_many[i][iwall][m];
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}
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}
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}
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}
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if (peratom_flag){
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if (peratom_flag) {
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for (int m = 0; m < size_peratom_cols; m++)
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for (int m = 0; m < size_peratom_cols; m++)
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buf[n++] = array_atom[i][m];
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buf[n++] = array_atom[i][m];
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}
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}
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@ -448,7 +448,7 @@ int FixWallGranRegion::unpack_exchange(int nlocal, double *buf)
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int n = 0;
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int n = 0;
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if (use_history){
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if (use_history) {
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int count = ncontact[nlocal] = (int) ubuf(buf[n++]).i;
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int count = ncontact[nlocal] = (int) ubuf(buf[n++]).i;
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for (int iwall = 0; iwall < count; iwall++) {
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for (int iwall = 0; iwall < count; iwall++) {
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walls[nlocal][iwall] = (int) ubuf(buf[n++]).i;
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walls[nlocal][iwall] = (int) ubuf(buf[n++]).i;
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@ -456,7 +456,7 @@ int FixWallGranRegion::unpack_exchange(int nlocal, double *buf)
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history_many[nlocal][iwall][m] = buf[n++];
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history_many[nlocal][iwall][m] = buf[n++];
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}
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}
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}
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}
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if (peratom_flag){
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if (peratom_flag) {
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for (int m = 0; m < size_peratom_cols; m++)
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for (int m = 0; m < size_peratom_cols; m++)
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array_atom[nlocal][m] = buf[n++];
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array_atom[nlocal][m] = buf[n++];
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}
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}
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@ -418,7 +418,7 @@ void PairGranular::compute(int eflag, int vflag)
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}
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}
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// rotate and update displacements.
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// rotate and update displacements.
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// see e.g. eq. 17 of Luding, Gran. Matter 2008, v10,p235
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// see e.g. eq. 17 of Luding, Gran. Matter 2008, v10,p235
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if (historyupdate){
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if (historyupdate) {
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rsht = history[0]*nx + history[1]*ny + history[2]*nz;
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rsht = history[0]*nx + history[1]*ny + history[2]*nz;
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if (fabs(rsht) < EPSILON) rsht = 0;
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if (fabs(rsht) < EPSILON) rsht = 0;
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if (rsht > 0) {
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if (rsht > 0) {
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@ -958,7 +958,7 @@ void PairGranular::coeff(int narg, char **arg)
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}
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}
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/* ----------------------------------------------------------------------
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/* ----------------------------------------------------------------------
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init specific to this pair style
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init specific to this pair style
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------------------------------------------------------------------------- */
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------------------------------------------------------------------------- */
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void PairGranular::init_style()
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void PairGranular::init_style()
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