From 5d7c52e114cb1f51cb191efd943058814054bc23 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 28 Mar 2019 11:23:37 -0400 Subject: [PATCH] clean up whitespace issues caused by commit 5210c4c3a4e21e63036ca51554fc8f49ceb88274 --- src/GRANULAR/fix_wall_gran.cpp | 50 +++++------ src/GRANULAR/fix_wall_gran_region.cpp | 2 +- src/GRANULAR/pair_gran_hooke_history.cpp | 2 +- src/GRANULAR/pair_granular.cpp | 102 +++++++++++------------ src/GRANULAR/pair_granular.h | 2 +- 5 files changed, 79 insertions(+), 79 deletions(-) diff --git a/src/GRANULAR/fix_wall_gran.cpp b/src/GRANULAR/fix_wall_gran.cpp index 9925c37e4b..650938fd7c 100644 --- a/src/GRANULAR/fix_wall_gran.cpp +++ b/src/GRANULAR/fix_wall_gran.cpp @@ -124,7 +124,7 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) : roll_model = twist_model = NONE; while (iarg < narg) { if (strcmp(arg[iarg], "hooke") == 0) { - if (iarg + 2 >= narg) + if (iarg + 2 >= narg) error->all(FLERR,"Illegal fix wall/gran command, " "not enough parameters provided for Hooke option"); normal_model = NORMAL_HOOKE; @@ -133,7 +133,7 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) : iarg += 3; } else if (strcmp(arg[iarg], "hertz") == 0) { int num_coeffs = 2; - if (iarg + num_coeffs >= narg) + if (iarg + num_coeffs >= narg) error->all(FLERR,"Illegal fix wall/gran command, " "not enough parameters provided for Hertz option"); normal_model = NORMAL_HERTZ; @@ -142,7 +142,7 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) : iarg += num_coeffs+1; } else if (strcmp(arg[iarg], "hertz/material") == 0) { int num_coeffs = 3; - if (iarg + num_coeffs >= narg) + if (iarg + num_coeffs >= narg) error->all(FLERR,"Illegal fix wall/gran command, " "not enough parameters provided for Hertz option"); normal_model = HERTZ_MATERIAL; @@ -153,7 +153,7 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) : normal_coeffs[2] = poiss; iarg += num_coeffs+1; } else if (strcmp(arg[iarg], "dmt") == 0) { - if (iarg + 4 >= narg) + if (iarg + 4 >= narg) error->all(FLERR,"Illegal fix wall/gran command, " "not enough parameters provided for Hertz option"); normal_model = DMT; @@ -165,7 +165,7 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) : normal_coeffs[3] = force->numeric(FLERR,arg[iarg+4]); //cohesion iarg += 5; } else if (strcmp(arg[iarg], "jkr") == 0) { - if (iarg + 4 >= narg) + if (iarg + 4 >= narg) error->all(FLERR,"Illegal wall/gran command, " "not enough parameters provided for JKR option"); beyond_contact = 1; @@ -178,7 +178,7 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) : normal_coeffs[3] = force->numeric(FLERR,arg[iarg+4]); //cohesion iarg += 5; } else if (strcmp(arg[iarg], "damping") == 0) { - if (iarg+1 >= narg) + if (iarg+1 >= narg) error->all(FLERR, "Illegal wall/gran command, " "not enough parameters provided for damping model"); if (strcmp(arg[iarg+1], "velocity") == 0) { @@ -194,11 +194,11 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) : "unrecognized damping model"); iarg += 1; } else if (strcmp(arg[iarg], "tangential") == 0) { - if (iarg + 1 >= narg) + 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) + if (iarg + 3 >= narg) error->all(FLERR,"Illegal pair_coeff command, " "not enough parameters provided for tangential model"); tangential_model = TANGENTIAL_NOHISTORY; @@ -210,16 +210,16 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) : } 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) + if (iarg + 4 >= narg) error->all(FLERR,"Illegal pair_coeff command, " "not enough parameters provided for tangential model"); - if (strcmp(arg[iarg+1], "linear_history") == 0) + if (strcmp(arg[iarg+1], "linear_history") == 0) tangential_model = TANGENTIAL_HISTORY; - else if (strcmp(arg[iarg+1], "mindlin") == 0) + else if (strcmp(arg[iarg+1], "mindlin") == 0) tangential_model = TANGENTIAL_MINDLIN; - else if (strcmp(arg[iarg+1], "mindlin_rescale") == 0) + else if (strcmp(arg[iarg+1], "mindlin_rescale") == 0) tangential_model = TANGENTIAL_MINDLIN_RESCALE; - if ((tangential_model == TANGENTIAL_MINDLIN || + if ((tangential_model == TANGENTIAL_MINDLIN || tangential_model == TANGENTIAL_MINDLIN_RESCALE) && (strcmp(arg[iarg+2], "NULL") == 0)) { if (normal_model == NORMAL_HERTZ || normal_model == NORMAL_HOOKE) { @@ -241,13 +241,13 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) : "tangential model not recognized"); } } else if (strcmp(arg[iarg], "rolling") == 0) { - if (iarg + 1 >= narg) + if (iarg + 1 >= narg) error->all(FLERR, "Illegal wall/gran command, not enough parameters"); if (strcmp(arg[iarg+1], "none") == 0) { roll_model = ROLL_NONE; iarg += 2; } else if (strcmp(arg[iarg+1], "sds") == 0) { - if (iarg + 4 >= narg) + if (iarg + 4 >= narg) error->all(FLERR,"Illegal wall/gran command, " "not enough parameters provided for rolling model"); roll_model = ROLL_SDS; @@ -272,7 +272,7 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) : twist_history = 1; iarg += 2; } else if (strcmp(arg[iarg+1], "sds") == 0) { - if (iarg + 4 >= narg) + if (iarg + 4 >= narg) error->all(FLERR,"Illegal wall/gran command, " "not enough parameters provided for twist model"); twist_model = TWIST_SDS; @@ -860,7 +860,7 @@ void FixWallGran::hooke_history(double rsq, double dx, double dy, double dz, history[1] += vtr2*dt; history[2] += vtr3*dt; } - shrmag = sqrt(history[0]*history[0] + history[1]*history[1] + + shrmag = sqrt(history[0]*history[0] + history[1]*history[1] + history[2]*history[2]); // rotate shear displacements @@ -991,7 +991,7 @@ void FixWallGran::hertz_history(double rsq, double dx, double dy, double dz, history[1] += vtr2*dt; history[2] += vtr3*dt; } - shrmag = sqrt(history[0]*history[0] + history[1]*history[1] + + shrmag = sqrt(history[0]*history[0] + history[1]*history[1] + history[2]*history[2]); // rotate history displacements @@ -1230,7 +1230,7 @@ void FixWallGran::granular(double rsq, double dx, double dy, double dz, history[thist2] *= factor; } } - shrmag = sqrt(history[thist0]*history[thist0] + + shrmag = sqrt(history[thist0]*history[thist0] + history[thist1]*history[thist1] + history[thist2]*history[thist2]); @@ -1242,7 +1242,7 @@ void FixWallGran::granular(double rsq, double dx, double dy, double dz, if (rsht > 0) { // if rhst == shrmag, contacting pair has rotated 90 deg in one step, // in which case you deserve a crash! - scalefac = shrmag/(shrmag - rsht); + scalefac = shrmag/(shrmag - rsht); history[thist0] -= rsht*nx; history[thist1] -= rsht*ny; history[thist2] -= rsht*nz; @@ -1267,11 +1267,11 @@ void FixWallGran::granular(double rsq, double dx, double dy, double dz, fs = sqrt(fs1*fs1 + fs2*fs2 + fs3*fs3); if (fs > Fscrit) { if (shrmag != 0.0) { - history[thist0] = -1.0/k_tangential*(Fscrit*fs1/fs + + history[thist0] = -1.0/k_tangential*(Fscrit*fs1/fs + damp_tangential*vtr1); - history[thist1] = -1.0/k_tangential*(Fscrit*fs2/fs + + history[thist1] = -1.0/k_tangential*(Fscrit*fs2/fs + damp_tangential*vtr2); - history[thist2] = -1.0/k_tangential*(Fscrit*fs3/fs + + history[thist2] = -1.0/k_tangential*(Fscrit*fs3/fs + damp_tangential*vtr3); fs1 *= Fscrit/fs; fs2 *= Fscrit/fs; @@ -1378,7 +1378,7 @@ void FixWallGran::granular(double rsq, double dx, double dy, double dz, signtwist = (magtwist > 0) - (magtwist < 0); Mtcrit = mu_twist*Fncrit; // critical torque (eq 44) if (fabs(magtortwist) > Mtcrit) { - history[twist_history_index] = 1.0/k_twist*(Mtcrit*signtwist - + history[twist_history_index] = 1.0/k_twist*(Mtcrit*signtwist - damp_twist*magtwist); magtortwist = -Mtcrit * signtwist; // eq 34 } @@ -1440,7 +1440,7 @@ double FixWallGran::memory_usage() if (use_history) bytes += nmax*size_history * sizeof(double); // shear history if (fix_rigid) bytes += nmax * sizeof(int); // mass_rigid // store contacts - if (peratom_flag) bytes += nmax*size_peratom_cols*sizeof(double); + if (peratom_flag) bytes += nmax*size_peratom_cols*sizeof(double); return bytes; } diff --git a/src/GRANULAR/fix_wall_gran_region.cpp b/src/GRANULAR/fix_wall_gran_region.cpp index e6f8406be0..7702967504 100644 --- a/src/GRANULAR/fix_wall_gran_region.cpp +++ b/src/GRANULAR/fix_wall_gran_region.cpp @@ -47,7 +47,7 @@ enum {NORMAL_HOOKE, NORMAL_HERTZ, HERTZ_MATERIAL, DMT, JKR}; /* ---------------------------------------------------------------------- */ FixWallGranRegion::FixWallGranRegion(LAMMPS *lmp, int narg, char **arg) : - FixWallGran(lmp, narg, arg), region(NULL), region_style(NULL), + FixWallGran(lmp, narg, arg), region(NULL), region_style(NULL), ncontact(NULL), walls(NULL), history_many(NULL), c2r(NULL) { diff --git a/src/GRANULAR/pair_gran_hooke_history.cpp b/src/GRANULAR/pair_gran_hooke_history.cpp index c86c2b0c90..27d2cf10a8 100644 --- a/src/GRANULAR/pair_gran_hooke_history.cpp +++ b/src/GRANULAR/pair_gran_hooke_history.cpp @@ -61,7 +61,7 @@ PairGranHookeHistory::PairGranHookeHistory(LAMMPS *lmp) : Pair(lmp) // keep default behavior of history[i][j] = -history[j][i] - nondefault_history_transfer = 0; + nondefault_history_transfer = 0; } /* ---------------------------------------------------------------------- */ diff --git a/src/GRANULAR/pair_granular.cpp b/src/GRANULAR/pair_granular.cpp index c8450c5434..7cc2348bbd 100644 --- a/src/GRANULAR/pair_granular.cpp +++ b/src/GRANULAR/pair_granular.cpp @@ -52,7 +52,7 @@ using namespace MathConst; enum {HOOKE, HERTZ, HERTZ_MATERIAL, DMT, JKR}; enum {VELOCITY, VISCOELASTIC, TSUJI}; -enum {TANGENTIAL_NOHISTORY, TANGENTIAL_HISTORY, +enum {TANGENTIAL_NOHISTORY, TANGENTIAL_HISTORY, TANGENTIAL_MINDLIN, TANGENTIAL_MINDLIN_RESCALE}; enum {TWIST_NONE, TWIST_SDS, TWIST_MARSHALL}; enum {ROLL_NONE, ROLL_SDS}; @@ -320,7 +320,7 @@ void PairGranular::compute(int eflag, int vflag) t2 = 8*dR*dR2*E*E*E; t3 = 4*dR2*E; // in case sqrt(0) < 0 due to precision issues - sqrt1 = MAX(0, t0*(t1+2*t2)); + sqrt1 = MAX(0, t0*(t1+2*t2)); t4 = cbrt(t1+t2+THREEROOT3*M_PI*sqrt(sqrt1)); t5 = t3/t4 + t4/E; sqrt2 = MAX(0, 2*dR + t5); @@ -405,7 +405,7 @@ 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] == + } else if (tangential_model[itype][jtype] == TANGENTIAL_MINDLIN_RESCALE) { k_tangential *= a; // on unloading, rescale the shear displacements @@ -439,7 +439,7 @@ void PairGranular::compute(int eflag, int vflag) history[0] += vtr1*dt; history[1] += vtr2*dt; history[2] += vtr3*dt; - if (tangential_model[itype][jtype] == TANGENTIAL_MINDLIN_RESCALE) + if (tangential_model[itype][jtype] == TANGENTIAL_MINDLIN_RESCALE) history[3] = a; } @@ -455,11 +455,11 @@ void PairGranular::compute(int eflag, int vflag) shrmag = sqrt(history[0]*history[0] + history[1]*history[1] + history[2]*history[2]); if (shrmag != 0.0) { - history[0] = -1.0/k_tangential*(Fscrit*fs1/fs + + history[0] = -1.0/k_tangential*(Fscrit*fs1/fs + damp_tangential*vtr1); - history[1] = -1.0/k_tangential*(Fscrit*fs2/fs + + history[1] = -1.0/k_tangential*(Fscrit*fs2/fs + damp_tangential*vtr2); - history[2] = -1.0/k_tangential*(Fscrit*fs3/fs + + history[2] = -1.0/k_tangential*(Fscrit*fs3/fs + damp_tangential*vtr3); fs1 *= Fscrit/fs; fs2 *= Fscrit/fs; @@ -486,15 +486,15 @@ void PairGranular::compute(int eflag, int vflag) // rolling velocity, // see eq. 31 of Wang et al, Particuology v 23, p 49 (2015) - // this is different from the Marshall papers, + // this is different from the Marshall papers, // which use the Bagi/Kuhn formulation // for rolling velocity (see Wang et al for why the latter is wrong) // - 0.5*((radj-radi)/radsum)*vtr1; // - 0.5*((radj-radi)/radsum)*vtr2; // - 0.5*((radj-radi)/radsum)*vtr3; - vrl1 = Reff*(relrot2*nz - relrot3*ny); - vrl2 = Reff*(relrot3*nx - relrot1*nz); + vrl1 = Reff*(relrot2*nz - relrot3*ny); + vrl2 = Reff*(relrot3*nx - relrot1*nz); vrl3 = Reff*(relrot1*ny - relrot2*nx); int rhist0 = roll_history_index; @@ -566,12 +566,12 @@ void PairGranular::compute(int eflag, int vflag) if (historyupdate) { history[twist_history_index] += magtwist*dt; } - magtortwist = -k_twist*history[twist_history_index] - + magtortwist = -k_twist*history[twist_history_index] - damp_twist*magtwist; // M_t torque (eq 30) signtwist = (magtwist > 0) - (magtwist < 0); Mtcrit = mu_twist*Fncrit; // critical torque (eq 44) if (fabs(magtortwist) > Mtcrit) { - history[twist_history_index] = 1.0/k_twist*(Mtcrit*signtwist - + history[twist_history_index] = 1.0/k_twist*(Mtcrit*signtwist - damp_twist*magtwist); magtortwist = -Mtcrit * signtwist; // eq 34 } @@ -729,7 +729,7 @@ void PairGranular::coeff(int narg, char **arg) int iarg = 2; while (iarg < narg) { if (strcmp(arg[iarg], "hooke") == 0) { - if (iarg + 2 >= narg) + if (iarg + 2 >= narg) error->all(FLERR,"Illegal pair_coeff command, " "not enough parameters provided for Hooke option"); normal_model_one = HOOKE; @@ -738,7 +738,7 @@ void PairGranular::coeff(int narg, char **arg) iarg += 3; } else if (strcmp(arg[iarg], "hertz") == 0) { int num_coeffs = 2; - if (iarg + num_coeffs >= narg) + if (iarg + num_coeffs >= narg) error->all(FLERR,"Illegal pair_coeff command, " "not enough parameters provided for Hertz option"); normal_model_one = HERTZ; @@ -747,7 +747,7 @@ void PairGranular::coeff(int narg, char **arg) iarg += num_coeffs+1; } else if (strcmp(arg[iarg], "hertz/material") == 0) { int num_coeffs = 3; - if (iarg + num_coeffs >= narg) + 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; @@ -756,7 +756,7 @@ void PairGranular::coeff(int narg, char **arg) normal_coeffs_one[2] = force->numeric(FLERR,arg[iarg+3]); // Poisson's ratio iarg += num_coeffs+1; } else if (strcmp(arg[iarg], "dmt") == 0) { - if (iarg + 4 >= narg) + if (iarg + 4 >= narg) error->all(FLERR,"Illegal pair_coeff command, " "not enough parameters provided for Hertz option"); normal_model_one = DMT; @@ -766,7 +766,7 @@ void PairGranular::coeff(int narg, char **arg) normal_coeffs_one[3] = force->numeric(FLERR,arg[iarg+4]); // cohesion iarg += 5; } else if (strcmp(arg[iarg], "jkr") == 0) { - if (iarg + 4 >= narg) + if (iarg + 4 >= narg) error->all(FLERR,"Illegal pair_coeff command, " "not enough parameters provided for JKR option"); beyond_contact = 1; @@ -777,7 +777,7 @@ void PairGranular::coeff(int narg, char **arg) normal_coeffs_one[3] = force->numeric(FLERR,arg[iarg+4]); // cohesion iarg += 5; } else if (strcmp(arg[iarg], "damping") == 0) { - if (iarg+1 >= narg) + 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) { @@ -793,11 +793,11 @@ void PairGranular::coeff(int narg, char **arg) "unrecognized damping model"); iarg += 1; } else if (strcmp(arg[iarg], "tangential") == 0) { - if (iarg + 1 >= narg) + 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) + if (iarg + 3 >= narg) error->all(FLERR,"Illegal pair_coeff command, " "not enough parameters provided for tangential model"); tangential_model_one = TANGENTIAL_NOHISTORY; @@ -809,17 +809,17 @@ void PairGranular::coeff(int narg, char **arg) } 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) + if (iarg + 4 >= narg) error->all(FLERR,"Illegal pair_coeff command, " "not enough parameters provided for tangential model"); - if (strcmp(arg[iarg+1], "linear_history") == 0) + if (strcmp(arg[iarg+1], "linear_history") == 0) tangential_model_one = TANGENTIAL_HISTORY; else if (strcmp(arg[iarg+1], "mindlin") == 0) tangential_model_one = TANGENTIAL_MINDLIN; - else if (strcmp(arg[iarg+1], "mindlin_rescale") == 0) + else if (strcmp(arg[iarg+1], "mindlin_rescale") == 0) tangential_model_one = TANGENTIAL_MINDLIN_RESCALE; tangential_history = 1; - if ((tangential_model_one == TANGENTIAL_MINDLIN || + if ((tangential_model_one == TANGENTIAL_MINDLIN || tangential_model_one == TANGENTIAL_MINDLIN_RESCALE) && (strcmp(arg[iarg+2], "NULL") == 0)) { if (normal_model_one == HERTZ || normal_model_one == HOOKE) { @@ -840,13 +840,13 @@ void PairGranular::coeff(int narg, char **arg) "tangential model not recognized"); } } else if (strcmp(arg[iarg], "rolling") == 0) { - if (iarg + 1 >= narg) + 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) { - if (iarg + 4 >= narg) + if (iarg + 4 >= narg) error->all(FLERR,"Illegal pair_coeff command, " "not enough parameters provided for rolling model"); roll_model_one = ROLL_SDS; @@ -861,7 +861,7 @@ void PairGranular::coeff(int narg, char **arg) "rolling friction model not recognized"); } } else if (strcmp(arg[iarg], "twisting") == 0) { - if (iarg + 1 >= narg) + 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; @@ -886,14 +886,14 @@ void PairGranular::coeff(int narg, char **arg) "twisting friction model not recognized"); } } else if (strcmp(arg[iarg], "cutoff") == 0) { - if (iarg + 1 >= narg) + 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"); } // error not to specify normal or tangential model - if ((normal_model_one < 0) || (tangential_model_one < 0)) + if ((normal_model_one < 0) || (tangential_model_one < 0)) error->all(FLERR, "Illegal pair coeff command, " "must specify normal or tangential contact model"); @@ -914,7 +914,7 @@ void PairGranular::coeff(int narg, char **arg) if (normal_model_one != HERTZ && normal_model_one != HOOKE) { 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] = + 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 { @@ -927,14 +927,14 @@ 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] = + 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 { - tangential_coeffs[i][j][0] = tangential_coeffs[j][i][0] = + tangential_coeffs[i][j][0] = tangential_coeffs[j][i][0] = tangential_coeffs_one[0]; } for (int k = 1; k < 3; k++) - tangential_coeffs[i][j][k] = tangential_coeffs[j][i][k] = + tangential_coeffs[i][j][k] = tangential_coeffs[j][i][k] = tangential_coeffs_one[k]; roll_model[i][j] = roll_model[j][i] = roll_model_one; @@ -974,7 +974,7 @@ void PairGranular::init_style() // determine whether we need a granular neigh list, how large it needs to be - use_history = normal_history || tangential_history || + use_history = normal_history || tangential_history || roll_history || twist_history; // for JKR, will need fix/neigh/history to keep track of touch arrays @@ -1133,36 +1133,36 @@ double PairGranular::init_one(int i, int j) } if (normal_model[i][j] == HERTZ || normal_model[i][j] == HOOKE) - normal_coeffs[i][j][0] = normal_coeffs[j][i][0] = + normal_coeffs[i][j][0] = normal_coeffs[j][i][0] = mix_geom(normal_coeffs[i][i][0], normal_coeffs[j][j][0]); else - normal_coeffs[i][j][0] = normal_coeffs[j][i][0] = + normal_coeffs[i][j][0] = normal_coeffs[j][i][0] = mix_stiffnessE(Emod[i][i], Emod[j][j], poiss[i][i], poiss[j][j]); - normal_coeffs[i][j][1] = normal_coeffs[j][i][1] = + normal_coeffs[i][j][1] = normal_coeffs[j][i][1] = mix_geom(normal_coeffs[i][i][1], normal_coeffs[j][j][1]); if ((normal_model[i][j] == JKR) || (normal_model[i][j] == DMT)) - normal_coeffs[i][j][3] = normal_coeffs[j][i][3] = + normal_coeffs[i][j][3] = normal_coeffs[j][i][3] = mix_geom(normal_coeffs[i][i][3], normal_coeffs[j][j][3]); for (int k = 0; k < 3; k++) - tangential_coeffs[i][j][k] = tangential_coeffs[j][i][k] = + tangential_coeffs[i][j][k] = tangential_coeffs[j][i][k] = mix_geom(tangential_coeffs[i][i][k], tangential_coeffs[j][j][k]); if (roll_model[i][j] != ROLL_NONE) { for (int k = 0; k < 3; k++) - roll_coeffs[i][j][k] = roll_coeffs[j][i][k] = + roll_coeffs[i][j][k] = roll_coeffs[j][i][k] = mix_geom(roll_coeffs[i][i][k], roll_coeffs[j][j][k]); } if (twist_model[i][j] != TWIST_NONE && twist_model[i][j] != TWIST_MARSHALL) { for (int k = 0; k < 3; k++) - twist_coeffs[i][j][k] = twist_coeffs[j][i][k] = + twist_coeffs[i][j][k] = twist_coeffs[j][i][k] = mix_geom(twist_coeffs[i][i][k], twist_coeffs[j][j][k]); } } - // It is possible that cut[i][j] at this point is still 0.0. + // It is possible that cut[i][j] at this point is still 0.0. // This can happen when // there is a future fix_pour after the current run. A cut[i][j] = 0.0 creates // problems because neighbor.cpp uses min(cut[i][j]) to decide on the bin size @@ -1176,7 +1176,7 @@ double PairGranular::init_one(int i, int j) if (((maxrad_dynamic[i] > 0.0) && (maxrad_dynamic[j] > 0.0)) || ((maxrad_dynamic[i] > 0.0) && (maxrad_frozen[j] > 0.0)) || // radius info about both i and j exist - ((maxrad_frozen[i] > 0.0) && (maxrad_dynamic[j] > 0.0))) { + ((maxrad_frozen[i] > 0.0) && (maxrad_dynamic[j] > 0.0))) { cutoff = maxrad_dynamic[i]+maxrad_dynamic[j]; pulloff = 0.0; if (normal_model[i][j] == JKR) { @@ -1194,7 +1194,7 @@ double PairGranular::init_one(int i, int j) } else { - // radius info about either i or j does not exist + // 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) @@ -1520,7 +1520,7 @@ double PairGranular::single(int i, int j, int itype, int jtype, } else if (tangential_model[itype][jtype] == TANGENTIAL_MINDLIN_RESCALE) { k_tangential *= a; // on unloading, rescale the shear displacements - if (a < history[3]) { + if (a < history[3]) { double factor = a/history[3]; history[0] *= factor; history[1] *= factor; @@ -1551,7 +1551,7 @@ double PairGranular::single(int i, int j, int itype, int jtype, } // classic pair gran/hooke (no history) - } else { + } else { fs = meff*damp_tangential*vrel; if (vrel != 0.0) Ft = MIN(Fne,fs) / vrel; else Ft = 0.0; @@ -1570,7 +1570,7 @@ double PairGranular::single(int i, int j, int itype, int jtype, relrot3 = omega[i][2] - omega[j][2]; // rolling velocity, see eq. 31 of Wang et al, Particuology v 23, p 49 (2015) - // this is different from the Marshall papers, + // this is different from the Marshall papers, // which use the Bagi/Kuhn formulation // for rolling velocity (see Wang et al for why the latter is wrong) @@ -1690,7 +1690,7 @@ double PairGranular::memory_usage() mixing of Young's modulus (E) ------------------------------------------------------------------------- */ -double PairGranular::mix_stiffnessE(double Eii, double Ejj, +double PairGranular::mix_stiffnessE(double Eii, double Ejj, double poisii, double poisjj) { return 1/((1-poisii*poisii)/Eii+(1-poisjj*poisjj)/Ejj); @@ -1700,14 +1700,14 @@ double PairGranular::mix_stiffnessE(double Eii, double Ejj, mixing of shear modulus (G) ------------------------------------------------------------------------ */ -double PairGranular::mix_stiffnessG(double Eii, double Ejj, +double PairGranular::mix_stiffnessG(double Eii, double Ejj, double poisii, double poisjj) { return 1/((2*(2-poisii)*(1+poisii)/Eii) + (2*(2-poisjj)*(1+poisjj)/Ejj)); } /* ---------------------------------------------------------------------- - mixing of everything else + mixing of everything else ------------------------------------------------------------------------- */ double PairGranular::mix_geom(double valii, double valjj) @@ -1720,7 +1720,7 @@ double PairGranular::mix_geom(double valii, double valjj) compute pull-off distance (beyond contact) for a given radius and atom type ------------------------------------------------------------------------- */ -double PairGranular::pulloff_distance(double radi, double radj, +double PairGranular::pulloff_distance(double radi, double radj, int itype, int jtype) { double E, coh, a, Reff; diff --git a/src/GRANULAR/pair_granular.h b/src/GRANULAR/pair_granular.h index 935e676487..d799acb733 100644 --- a/src/GRANULAR/pair_granular.h +++ b/src/GRANULAR/pair_granular.h @@ -5,7 +5,7 @@ Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under + certain rights in this software. This software is distributed under the GNU General Public License. See the README file in the top-level LAMMPS directory.