Merge pull request #1751 from akohlmey/user-vtk-bugfix (224ea418) · Commits · 郑智淋 / lammps

src/GRANULAR/pair_granular.cpp

+16 −17

Original line number	Diff line number	Diff line
		@@ -140,7 +140,7 @@ void PairGranular::compute(int eflag, int vflag)
		double wr1,wr2,wr3;
		double vtr1,vtr2,vtr3,vrel;

		double knfac, damp_normal, damp_normal_prefactor;
		double knfac, damp_normal=0.0, damp_normal_prefactor;
		double k_tangential, damp_tangential;
		double Fne, Ft, Fdamp, Fntot, Fncrit, Fscrit, Frcrit;
		double fs, fs1, fs2, fs3, tor1, tor2, tor3;
		@@ -1116,7 +1116,7 @@ void PairGranular::init_style()

		double PairGranular::init_one(int i, int j)
		{
		double cutoff;
		double cutoff=0.0;

		if (setflag[i][j] == 0) {
		if ((normal_model[i][i] != normal_model[j][j]) \|\|
		@@ -1588,8 +1588,7 @@ double PairGranular::single(int i, int j, int itype, int jtype,
		fr *= Frcrit/fr;
		} else fr1 = fr2 = fr3 = fr = 0.0;
		}

		}
		} else fr1 = fr2 = fr3 = fr = 0.0;

		//****************************************
		// twisting torque, including history effects
		@@ -1614,7 +1613,7 @@ double PairGranular::single(int i, int j, int itype, int jtype,
		if (fabs(magtortwist) > Mtcrit) {
		magtortwist = -Mtcrit * signtwist; // eq 34
		} else magtortwist = 0.0;
		}
		} else magtortwist = 0.0;

		// set force and return no energy

+0 −7

Original line number	Diff line number	Diff line
		@@ -166,13 +166,6 @@ DumpVTK::DumpVTK(LAMMPS lmp, int narg, char *arg) :
		header_choice = NULL;
		write_choice = NULL;
		boxcorners = NULL;

		// unsupported feature by dump vtk
		delete [] vformat;
		vformat = NULL;

		delete [] format_column_user;
		format_column_user = NULL;
		}

		/* ---------------------------------------------------------------------- */

+4 −2

Original line number	Diff line number	Diff line
		@@ -248,8 +248,10 @@ DumpCustom::~DumpCustom()
		delete [] vformat;
		}

		if (format_column_user) {
		for (int i = 0; i < size_one; i++) delete [] format_column_user[i];
		delete [] format_column_user;
		}

		delete [] columns;
		}