Merge pull request #1538 from dsbolin/gran_mods (63fa63fb) · Commits · 郑智淋 / lammps

src/GRANULAR/pair_granular.cpp

+24 −22

Original line number	Diff line number	Diff line
		@@ -475,15 +475,11 @@ 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,
		// see eq. 31 of Wang et al, Particuology v 23, p 49 (2015)
		// this is different from the Marshall papers,
		@@ -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(relrot2nz - relrot3*ny);
		vrl2 = Reff(relrot3nx - relrot1*nz);
		vrl3 = Reff(relrot1ny - 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);
		}
		}
		}

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