Unverified Commit 4cd0ea61 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

change source code format style to be more like other LAMMPS sources

parent 05a5ecd4

src/GRANULAR/pair_granular.cpp

+122 −174
Original line number Diff line number Diff line
@@ -256,12 +256,10 @@ void PairGranular::compute(int eflag, int vflag) 
          delta_pulloff = a*a/Reff - 2*sqrt(M_PI*coh*a/E);

          dist_pulloff = radsum-delta_pulloff;

          touchflag = (rsq < dist_pulloff*dist_pulloff);

        }

        else{

        } else {

          touchflag = (rsq < radsum*radsum);

        }

      }

      else{

      } else {

        touchflag = (rsq < radsum*radsum);

      }
@@ -272,8 +270,7 @@ void PairGranular::compute(int eflag, int vflag) 
          history = &allhistory[size_history*jj];

          for (int k = 0; k < size_history; k++) history[k] = 0.0;

        }

      }

      else{

      } else {

        r = sqrt(rsq);

        rinv = 1.0/r;
@@ -330,8 +327,7 @@ void PairGranular::compute(int eflag, int vflag) 
          a2 = a*a;

          knfac = normal_coeffs[itype][jtype][0]*a;

          Fne = knfac*a2/Reff - TWOPI*a2*sqrt(4*coh*E/(M_PI*a));

        }

        else{

        } else {

          knfac = E; //Hooke

          Fne = knfac*delta;

          a = sqrt(dR);
@@ -346,11 +342,9 @@ void PairGranular::compute(int eflag, int vflag) 
        //Consider restricting Hooke to only have 'velocity' as an option for damping?

        if (damping_model[itype][jtype] == VELOCITY) {

          damp_normal = 1;

        }

        else if (damping_model[itype][jtype] == VISCOELASTIC){

        } else if (damping_model[itype][jtype] == VISCOELASTIC) {

          damp_normal = a*meff;

        }

        else if (damping_model[itype][jtype] == TSUJI){

        } else if (damping_model[itype][jtype] == TSUJI) {

          damp_normal = sqrt(meff*knfac);

        }
@@ -389,12 +383,10 @@ void PairGranular::compute(int eflag, int vflag) 
        if (normal_model[itype][jtype] == JKR) {

          F_pulloff = 3*M_PI*coh*Reff;

          Fncrit = fabs(Fne + 2*F_pulloff);

        }

        else if (normal_model[itype][jtype] == DMT){

        } else if (normal_model[itype][jtype] == DMT) {

          F_pulloff = 4*M_PI*coh*Reff;

          Fncrit = fabs(Fne + 2*F_pulloff);

        }

        else{

        } else {

          Fncrit = fabs(Fntot);

        }
@@ -407,8 +399,7 @@ void PairGranular::compute(int eflag, int vflag) 
        if (tangential_history) {

          if (tangential_model[itype][jtype] == TANGENTIAL_MINDLIN) {

            k_tangential *= a;

          }

          else if (tangential_model[itype][jtype] == TANGENTIAL_MINDLIN_RESCALE){

          } else if (tangential_model[itype][jtype] == TANGENTIAL_MINDLIN_RESCALE) {

            k_tangential *= a;

            if (a < history[3]) { //On unloading, rescale the shear displacements

              double factor = a/history[3];
@@ -461,8 +452,7 @@ void PairGranular::compute(int eflag, int vflag) 
              fs3 *= Fscrit/fs;

            } else fs1 = fs2 = fs3 = 0.0;

          }

        }

        else{ //Classic pair gran/hooke (no history)

        } else{ //Classic pair gran/hooke (no history)

          fs = meff*damp_tangential*vrel;

          if (vrel != 0.0) Ft = MIN(Fne,fs) / vrel;

          else Ft = 0.0;
@@ -546,8 +536,7 @@ void PairGranular::compute(int eflag, int vflag) 
            k_twist = 0.5*k_tangential*a*a;; //eq 32 of Marshall paper

            damp_twist = 0.5*damp_tangential*a*a;

            mu_twist = TWOTHIRDS*a*tangential_coeffs[itype][jtype][2];

          }

          else{

          } else {

            k_twist = twist_coeffs[itype][jtype][0];

            damp_twist = twist_coeffs[itype][jtype][1];

            mu_twist = twist_coeffs[itype][jtype][2];
@@ -675,8 +664,7 @@ void PairGranular::settings(int narg, char **arg) 
{

  if (narg == 1) {

    cutoff_global = force->numeric(FLERR,arg[0]);

  }

  else{

  } else {

    cutoff_global = -1; //Will be set based on particle sizes, model choice

  }
@@ -722,16 +710,14 @@ void PairGranular::coeff(int narg, char **arg) 
      normal_coeffs_one[0] = force->numeric(FLERR,arg[iarg+1]); //kn

      normal_coeffs_one[1] = force->numeric(FLERR,arg[iarg+2]); //damping

      iarg += 3;

    }

    else if (strcmp(arg[iarg], "hertz") == 0){

    } else if (strcmp(arg[iarg], "hertz") == 0) {

      int num_coeffs = 2;

      if (iarg + num_coeffs >= narg) error->all(FLERR,"Illegal pair_coeff command, not enough parameters provided for Hertz option");

      normal_model_one = HERTZ;

      normal_coeffs_one[0] = force->numeric(FLERR,arg[iarg+1]); //kn

      normal_coeffs_one[1] = force->numeric(FLERR,arg[iarg+2]); //damping

      iarg += num_coeffs+1;

    }

    else if (strcmp(arg[iarg], "hertz/material") == 0){

    } else if (strcmp(arg[iarg], "hertz/material") == 0) {

      int num_coeffs = 3;

      if (iarg + num_coeffs >= narg) error->all(FLERR,"Illegal pair_coeff command, not enough parameters provided for Hertz/material option");

      normal_model_one = HERTZ_MATERIAL;
@@ -739,8 +725,7 @@ void PairGranular::coeff(int narg, char **arg) 
      normal_coeffs_one[1] = force->numeric(FLERR,arg[iarg+2]); //damping

      normal_coeffs_one[2] = force->numeric(FLERR,arg[iarg+3]); //Poisson's ratio

      iarg += num_coeffs+1;

    }

    else if (strcmp(arg[iarg], "dmt") == 0){

    } else if (strcmp(arg[iarg], "dmt") == 0) {

      if (iarg + 4 >= narg) error->all(FLERR,"Illegal pair_coeff command, not enough parameters provided for Hertz option");

      normal_model_one = DMT;

      normal_coeffs_one[0] = force->numeric(FLERR,arg[iarg+1]); //E
@@ -748,8 +733,7 @@ void PairGranular::coeff(int narg, char **arg) 
      normal_coeffs_one[2] = force->numeric(FLERR,arg[iarg+3]); //Poisson's ratio

      normal_coeffs_one[3] = force->numeric(FLERR,arg[iarg+4]); //cohesion

      iarg += 5;

    }

    else if (strcmp(arg[iarg], "jkr") == 0){

    } else if (strcmp(arg[iarg], "jkr") == 0) {

      if (iarg + 4 >= narg) error->all(FLERR,"Illegal pair_coeff command, not enough parameters provided for JKR option");

      beyond_contact = 1;

      normal_model_one = JKR;
@@ -758,25 +742,20 @@ void PairGranular::coeff(int narg, char **arg) 
      normal_coeffs_one[2] = force->numeric(FLERR,arg[iarg+3]); //Poisson's ratio

      normal_coeffs_one[3] = force->numeric(FLERR,arg[iarg+4]); //cohesion

      iarg += 5;

    }

    else if (strcmp(arg[iarg], "damping") == 0){

    } else if (strcmp(arg[iarg], "damping") == 0) {

      if (iarg+1 >= narg) error->all(FLERR, "Illegal pair_coeff command, not enough parameters provided for damping model");

      if (strcmp(arg[iarg+1], "velocity") == 0) {

        damping_model_one = VELOCITY;

        iarg += 1;

      }

      else if (strcmp(arg[iarg+1], "viscoelastic") == 0){

      } else if (strcmp(arg[iarg+1], "viscoelastic") == 0) {

        damping_model_one = VISCOELASTIC;

        iarg += 1;

      }

      else if (strcmp(arg[iarg+1], "tsuji") == 0){

      } else if (strcmp(arg[iarg+1], "tsuji") == 0) {

        damping_model_one = TSUJI;

        iarg += 1;

      }

      else error->all(FLERR, "Illegal pair_coeff command, unrecognized damping model");

      } else error->all(FLERR, "Illegal pair_coeff command, unrecognized damping model");

      iarg += 1;

    }

    else if (strcmp(arg[iarg], "tangential") == 0){

    } else if (strcmp(arg[iarg], "tangential") == 0) {

      if (iarg + 1 >= narg) error->all(FLERR,"Illegal pair_coeff command, must specify tangential model after 'tangential' keyword");

      if (strcmp(arg[iarg+1], "linear_nohistory") == 0) {

        if (iarg + 3 >= narg) error->all(FLERR,"Illegal pair_coeff command, not enough parameters provided for tangential model");
@@ -785,8 +764,7 @@ void PairGranular::coeff(int narg, char **arg) 
        tangential_coeffs_one[1] = force->numeric(FLERR,arg[iarg+2]); //gammat

        tangential_coeffs_one[2] = force->numeric(FLERR,arg[iarg+3]); //friction coeff.

        iarg += 4;

      }

      else if ((strcmp(arg[iarg+1], "linear_history") == 0) ||

      } else if ((strcmp(arg[iarg+1], "linear_history") == 0) ||

               (strcmp(arg[iarg+1], "mindlin") == 0) ||

               (strcmp(arg[iarg+1], "mindlin_rescale") == 0)) {

        if (iarg + 4 >= narg) error->all(FLERR,"Illegal pair_coeff command, not enough parameters provided for tangential model");
@@ -800,25 +778,21 @@ void PairGranular::coeff(int narg, char **arg) 
            error->all(FLERR, "NULL setting for Mindlin tangential stiffness requires a normal contact model that specifies material properties");

          }

          tangential_coeffs_one[0] = -1;

        }

        else{

        } else {

          tangential_coeffs_one[0] = force->numeric(FLERR,arg[iarg+2]); //kt

        }

        tangential_coeffs_one[1] = force->numeric(FLERR,arg[iarg+3]); //gammat

        tangential_coeffs_one[2] = force->numeric(FLERR,arg[iarg+4]); //friction coeff.

        iarg += 5;

      }

      else{

      } else {

        error->all(FLERR, "Illegal pair_coeff command, tangential model not recognized");

      }

    }

    else if (strcmp(arg[iarg], "rolling") == 0){

    } else if (strcmp(arg[iarg], "rolling") == 0) {

      if (iarg + 1 >= narg) error->all(FLERR, "Illegal pair_coeff command, not enough parameters");

      if (strcmp(arg[iarg+1], "none") == 0) {

        roll_model_one = ROLL_NONE;

        iarg += 2;

      }

      else if (strcmp(arg[iarg+1], "sds") == 0){

      } else if (strcmp(arg[iarg+1], "sds") == 0) {

        if (iarg + 4 >= narg) error->all(FLERR,"Illegal pair_coeff command, not enough parameters provided for rolling model");

        roll_model_one = ROLL_SDS;

        roll_history = 1;
@@ -826,23 +800,19 @@ void PairGranular::coeff(int narg, char **arg) 
        roll_coeffs_one[1] = force->numeric(FLERR,arg[iarg+3]); //gammaR

        roll_coeffs_one[2] = force->numeric(FLERR,arg[iarg+4]); //rolling friction coeff.

        iarg += 5;

      }

      else{

      } else {

        error->all(FLERR, "Illegal pair_coeff command, rolling friction model not recognized");

      }

    }

    else if (strcmp(arg[iarg], "twisting") == 0){

    } else if (strcmp(arg[iarg], "twisting") == 0) {

      if (iarg + 1 >= narg) error->all(FLERR, "Illegal pair_coeff command, not enough parameters");

      if (strcmp(arg[iarg+1], "none") == 0) {

        twist_model_one = TWIST_NONE;

        iarg += 2;

      }

      else if (strcmp(arg[iarg+1], "marshall") == 0){

      } else if (strcmp(arg[iarg+1], "marshall") == 0) {

        twist_model_one = TWIST_MARSHALL;

        twist_history = 1;

        iarg += 2;

      }

      else if (strcmp(arg[iarg+1], "sds") == 0){

      } else if (strcmp(arg[iarg+1], "sds") == 0) {

        if (iarg + 4 >= narg) error->all(FLERR,"Illegal pair_coeff command, not enough parameters provided for twist model");

          twist_model_one = TWIST_SDS;

          twist_history = 1;
@@ -850,16 +820,13 @@ void PairGranular::coeff(int narg, char **arg) 
          twist_coeffs_one[1] = force->numeric(FLERR,arg[iarg+3]); //gammat

          twist_coeffs_one[2] = force->numeric(FLERR,arg[iarg+4]); //friction coeff.

          iarg += 5;

      }

      else{

      } else {

          error->all(FLERR, "Illegal pair_coeff command, twisting friction model not recognized");

      }

    }

    else if (strcmp(arg[iarg], "cutoff") == 0){

    } else if (strcmp(arg[iarg], "cutoff") == 0) {

      if (iarg + 1 >= narg) error->all(FLERR, "Illegal pair_coeff command, not enough parameters");

      cutoff_one = force->numeric(FLERR,arg[iarg+1]);

    }

    else error->all(FLERR, "Illegal pair coeff command");

    } else error->all(FLERR, "Illegal pair coeff command");

  }



  //It is an error not to specify normal or tangential model
@@ -873,8 +840,7 @@ void PairGranular::coeff(int narg, char **arg) 
    damp = 1.2728-4.2783*cor+11.087*pow(cor,2)-22.348*pow(cor,3)+

        27.467*pow(cor,4)-18.022*pow(cor,5)+

        4.8218*pow(cor,6);

  }

  else damp = normal_coeffs_one[1];

  } else damp = normal_coeffs_one[1];



  for (int i = ilo; i <= ihi; i++) {

    for (int j = MAX(jlo,i); j <= jhi; j++) {
@@ -884,8 +850,7 @@ void PairGranular::coeff(int narg, char **arg) 
        Emod[i][j] = Emod[j][i] = normal_coeffs_one[0];

        poiss[i][j] = poiss[j][i] = normal_coeffs_one[2];

        normal_coeffs[i][j][0] = normal_coeffs[j][i][0] = FOURTHIRDS*mix_stiffnessE(Emod[i][j], Emod[i][j], poiss[i][j], poiss[i][j]);

      }

      else{

      } else {

        normal_coeffs[i][j][0] = normal_coeffs[j][i][0] = normal_coeffs_one[0];

      }

      if ((normal_model_one == JKR) || (normal_model_one == DMT))
@@ -896,8 +861,7 @@ void PairGranular::coeff(int narg, char **arg) 
      tangential_model[i][j] = tangential_model[j][i] = tangential_model_one;

      if (tangential_coeffs_one[0] == -1) {

        tangential_coeffs[i][j][0] = tangential_coeffs[j][i][0] = 8*mix_stiffnessG(Emod[i][j], Emod[i][j], poiss[i][j], poiss[i][j]);

      }

      else{

      } else {

        tangential_coeffs[i][j][0] = tangential_coeffs[j][i][0] = tangential_coeffs_one[0];

      }

      for (int k = 1; k < 3; k++)
@@ -957,8 +921,7 @@ void PairGranular::init_style() 
    if (tangential_history) {

      if (roll_history) twist_history_index = 6;

      else twist_history_index = 3;

    }

    else{

    } else {

      if (roll_history) twist_history_index = 3;

      else twist_history_index = 0;

    }
@@ -1053,8 +1016,7 @@ void PairGranular::init_style() 
    double radius_cut = radius[i];

    if (mask[i] & freeze_group_bit) {

      onerad_frozen[type[i]] = MAX(onerad_frozen[type[i]],radius_cut);

    }

    else{

    } else {

      onerad_dynamic[type[i]] = MAX(onerad_dynamic[type[i]],radius_cut);

    }

  }
@@ -1143,8 +1105,7 @@ double PairGranular::init_one(int i, int j) 
      if (normal_model[i][j] == JKR)

        pulloff = pulloff_distance(maxrad_dynamic[i], maxrad_frozen[j], i, j);

      cutoff = MAX(cutoff,maxrad_dynamic[i]+maxrad_frozen[j]+pulloff);

    }

    else { // radius info about either i or j does not exist (i.e. not present and not about to get poured; set to largest value to not interfere with neighbor list)

    } else { // radius info about either i or j does not exist (i.e. not present and not about to get poured; set to largest value to not interfere with neighbor list)

      double cutmax = 0.0;

      for (int k = 1; k <= atom->ntypes; k++) {

        cutmax = MAX(cutmax,2.0*maxrad_dynamic[k]);
@@ -1152,11 +1113,9 @@ double PairGranular::init_one(int i, int j) 
      }

      cutoff = cutmax;

    }

  }

  else if (cutoff_type[i][j] > 0){

  } else if (cutoff_type[i][j] > 0) {

    cutoff = cutoff_type[i][j];

  }

  else if (cutoff_global > 0){

  } else if (cutoff_global > 0) {

    cutoff = cutoff_global;

  }
@@ -1293,10 +1252,7 @@ double PairGranular::single(int i, int j, int itype, int jtype, 
    delta_pulloff = a*a/Reff - 2*sqrt(M_PI*coh*a/E);

    dist_pulloff = radsum+delta_pulloff;

    touchflag = (rsq <= dist_pulloff*dist_pulloff);

  }

  else{

    touchflag = (rsq <= radsum*radsum);

  }

  } else touchflag = (rsq <= radsum*radsum);



  if (!touchflag) {

    fforce = 0.0;
@@ -1392,8 +1348,7 @@ double PairGranular::single(int i, int j, int itype, int jtype, 
    a2 = a*a;

    knfac = normal_coeffs[itype][jtype][0]*a;

    Fne = knfac*a2/Reff - TWOPI*a2*sqrt(4*coh*E/(M_PI*a));

  }

  else{

  } else {

    knfac = E;

    Fne = knfac*delta;

    a = sqrt(dR);
@@ -1407,11 +1362,9 @@ double PairGranular::single(int i, int j, int itype, int jtype, 


  if (damping_model[itype][jtype] == VELOCITY) {

    damp_normal = normal_coeffs[itype][jtype][1];

  }

  else if (damping_model[itype][jtype] == VISCOELASTIC){

  } else if (damping_model[itype][jtype] == VISCOELASTIC) {

    damp_normal = normal_coeffs[itype][jtype][1]*a*meff;

  }

  else if (damping_model[itype][jtype] == TSUJI){

  } else if (damping_model[itype][jtype] == TSUJI) {

    damp_normal = normal_coeffs[itype][jtype][1]*sqrt(meff*knfac);

  }
@@ -1457,12 +1410,10 @@ double PairGranular::single(int i, int j, int itype, int jtype, 
  if (normal_model[itype][jtype] == JKR) {

    F_pulloff = 3*M_PI*coh*Reff;

    Fncrit = fabs(Fne + 2*F_pulloff);

  }

  else if (normal_model[itype][jtype] == DMT){

  } else if (normal_model[itype][jtype] == DMT) {

    F_pulloff = 4*M_PI*coh*Reff;

    Fncrit = fabs(Fne + 2*F_pulloff);

  }

  else{

  } else {

    Fncrit = fabs(Fntot);

  }
@@ -1475,8 +1426,7 @@ double PairGranular::single(int i, int j, int itype, int jtype, 
  if (tangential_history) {

    if (tangential_model[itype][jtype] == TANGENTIAL_MINDLIN) {

      k_tangential *= a;

    }

    else if (tangential_model[itype][jtype] == TANGENTIAL_MINDLIN_RESCALE){

    } else if (tangential_model[itype][jtype] == TANGENTIAL_MINDLIN_RESCALE) {

      k_tangential *= a;

      if (a < history[3]) { //On unloading, rescale the shear displacements

        double factor = a/history[3];
@@ -1507,8 +1457,7 @@ double PairGranular::single(int i, int j, int itype, int jtype, 
        fs3 *= Fscrit/fs;

      } else fs1 = fs2 = fs3 = 0.0;

    }

  }

  else{ //Classic pair gran/hooke (no history)

  } else { //Classic pair gran/hooke (no history)

    fs = meff*damp_tangential*vrel;

    if (vrel != 0.0) Ft = MIN(Fne,fs) / vrel;

    else Ft = 0.0;
@@ -1571,8 +1520,7 @@ double PairGranular::single(int i, int j, int itype, int jtype, 
      k_twist = 0.5*k_tangential*a*a;; //eq 32

      damp_twist = 0.5*damp_tangential*a*a;

      mu_twist = TWOTHIRDS*a*tangential_coeffs[itype][jtype][2];;

    }

    else{

    } else {

      k_twist = twist_coeffs[itype][jtype][0];

      damp_twist = twist_coeffs[itype][jtype][1];

      mu_twist = twist_coeffs[itype][jtype][2];

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