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Merge pull request #1538 from dsbolin/gran_mods 

Bug fixes to pair granular
This commit is contained in:
Axel Kohlmeyer 2019-07-01 17:27:55 -04:00 committed by GitHub
parent f7329c0f43 e08146c31f
commit 63fa63fb1c
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GPG Key ID: 4AEE18F83AFDEB23
1 changed files with 24 additions and 22 deletions
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46
src/GRANULAR/pair_granular.cpp
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@ -475,16 +475,12 @@ void PairGranular::compute(int eflag, int vflag)
fs3 = -Ft*vtr3;
}
//****************************************
// rolling resistance
//****************************************
if (roll_model[itype][jtype] != ROLL_NONE) {
if (roll_model[itype][jtype] != ROLL_NONE ||
twist_model[itype][jtype] != TWIST_NONE){
relrot1 = omega[i][0] - omega[j][0];
relrot2 = omega[i][1] - omega[j][1];
relrot3 = omega[i][2] - omega[j][2];
// rolling velocity,
// rolling velocity,
// see eq. 31 of Wang et al, Particuology v 23, p 49 (2015)
// this is different from the Marshall papers,
// which use the Bagi/Kuhn formulation
@ -492,7 +488,12 @@ void PairGranular::compute(int eflag, int vflag)
// - 0.5*((radj-radi)/radsum)*vtr1;
// - 0.5*((radj-radi)/radsum)*vtr2;
// - 0.5*((radj-radi)/radsum)*vtr3;
}
//****************************************
// rolling resistance
//****************************************
if (roll_model[itype][jtype] != ROLL_NONE) {
vrl1 = Reff*(relrot2*nz - relrot3*ny);
vrl2 = Reff*(relrot3*nx - relrot1*nz);
vrl3 = Reff*(relrot1*ny - relrot2*nx);
@ -890,6 +891,7 @@ void PairGranular::coeff(int narg, char **arg)
if (iarg + 1 >= narg)
error->all(FLERR, "Illegal pair_coeff command, not enough parameters");
cutoff_one = force->numeric(FLERR,arg[iarg+1]);
iarg += 2;
} else error->all(FLERR, "Illegal pair coeff command");
}
@ -1230,11 +1232,11 @@ void PairGranular::write_restart(FILE *fp)
fwrite(&tangential_model[i][j],sizeof(int),1,fp);
fwrite(&roll_model[i][j],sizeof(int),1,fp);
fwrite(&twist_model[i][j],sizeof(int),1,fp);
fwrite(&normal_coeffs[i][j],sizeof(double),4,fp);
fwrite(&tangential_coeffs[i][j],sizeof(double),3,fp);
fwrite(&roll_coeffs[i][j],sizeof(double),3,fp);
fwrite(&twist_coeffs[i][j],sizeof(double),3,fp);
fwrite(&cut[i][j],sizeof(double),1,fp);
fwrite(normal_coeffs[i][j],sizeof(double),4,fp);
fwrite(tangential_coeffs[i][j],sizeof(double),3,fp);
fwrite(roll_coeffs[i][j],sizeof(double),3,fp);
fwrite(twist_coeffs[i][j],sizeof(double),3,fp);
fwrite(&cutoff_type[i][j],sizeof(double),1,fp);
}
}
}
@ -1260,22 +1262,22 @@ void PairGranular::read_restart(FILE *fp)
fread(&tangential_model[i][j],sizeof(int),1,fp);
fread(&roll_model[i][j],sizeof(int),1,fp);
fread(&twist_model[i][j],sizeof(int),1,fp);
fread(&normal_coeffs[i][j],sizeof(double),4,fp);
fread(&tangential_coeffs[i][j],sizeof(double),3,fp);
fread(&roll_coeffs[i][j],sizeof(double),3,fp);
fread(&twist_coeffs[i][j],sizeof(double),3,fp);
fread(&cut[i][j],sizeof(double),1,fp);
fread(normal_coeffs[i][j],sizeof(double),4,fp);
fread(tangential_coeffs[i][j],sizeof(double),3,fp);
fread(roll_coeffs[i][j],sizeof(double),3,fp);
fread(twist_coeffs[i][j],sizeof(double),3,fp);
fread(&cutoff_type[i][j],sizeof(double),1,fp);
}
MPI_Bcast(&normal_model[i][j],1,MPI_INT,0,world);
MPI_Bcast(&damping_model[i][j],1,MPI_INT,0,world);
MPI_Bcast(&tangential_model[i][j],1,MPI_INT,0,world);
MPI_Bcast(&roll_model[i][j],1,MPI_INT,0,world);
MPI_Bcast(&twist_model[i][j],1,MPI_INT,0,world);
MPI_Bcast(&normal_coeffs[i][j],4,MPI_DOUBLE,0,world);
MPI_Bcast(&tangential_coeffs[i][j],3,MPI_DOUBLE,0,world);
MPI_Bcast(&roll_coeffs[i][j],3,MPI_DOUBLE,0,world);
MPI_Bcast(&twist_coeffs[i][j],3,MPI_DOUBLE,0,world);
MPI_Bcast(&cut[i][j],1,MPI_DOUBLE,0,world);
MPI_Bcast(normal_coeffs[i][j],4,MPI_DOUBLE,0,world);
MPI_Bcast(tangential_coeffs[i][j],3,MPI_DOUBLE,0,world);
MPI_Bcast(roll_coeffs[i][j],3,MPI_DOUBLE,0,world);
MPI_Bcast(twist_coeffs[i][j],3,MPI_DOUBLE,0,world);
MPI_Bcast(&cutoff_type[i][j],1,MPI_DOUBLE,0,world);
}
}
}