(08577f42) · Commits · 郑智淋 / lammps

src/GRANULAR/fix_pour.cpp

+6 −12

Original line number	Diff line number	Diff line
		@@ -22,7 +22,6 @@
		#include "comm.h"
		#include "modify.h"
		#include "fix_gravity.h"
		#include "fix_shear_history.h"
		#include "domain.h"
		#include "region.h"
		#include "region_block.h"
		@@ -270,15 +269,6 @@ void FixPour::init()
		fabs(zgrav) > EPSILON)
		error->all("Gravity must point in -y to use with fix pour in 2d");
		}

		// check if a shear history fix exists

		fix_history = NULL;
		if (force->pair_match("gran/hooke/history",1) \|\|
		force->pair_match("gran/hertz/history",1))
		for (int i = 0; i < modify->nfix; i++)
		if (strcmp(modify->fix[i]->style,"SHEAR_HISTORY") == 0)
		fix_history = (FixShearHistory *) modify->fix[i];
		}

		/* ----------------------------------------------------------------------
		@@ -419,12 +409,15 @@ void FixPour::pre_exchange()
		// set npartner for new atom to 0 (assume not touching any others)

		AtomVec *avec = atom->avec;
		int m,flag;
		int j,m,flag;
		double denstmp,vxtmp,vytmp,vztmp;
		double g = 1.0;
		double *sublo = domain->sublo;
		double *subhi = domain->subhi;

		int nfix = modify->nfix;
		Fix **fix = modify->fix;

		for (i = nprevious; i < nnear; i++) {
		coord[0] = xnear[i][0];
		coord[1] = xnear[i][1];
		@@ -464,7 +457,8 @@ void FixPour::pre_exchange()
		atom->v[m][0] = vxtmp;
		atom->v[m][1] = vytmp;
		atom->v[m][2] = vztmp;
		if (fix_history) fix_history->npartner[m] = 0;
		for (j = 0; j < nfix; j++)
		if (fix[j]->create_attribute) fix[j]->set_arrays(m);
		}
		}

+11 −1

Original line number	Diff line number	Diff line
		@@ -52,6 +52,7 @@ FixWallGran::FixWallGran(LAMMPS lmp, int narg, char *arg) :
		error->all("Fix wall/gran requires atom attributes radius, omega, torque");

		restart_peratom = 1;
		create_attribute = 1;

		// wall/particle coefficients

		@@ -689,6 +690,15 @@ void FixWallGran::copy_arrays(int i, int j)
		shear[j][2] = shear[i][2];
		}

		/* ----------------------------------------------------------------------
		initialize one atom's array values, called when atom is created
		------------------------------------------------------------------------- */

		void FixWallGran::set_arrays(int i)
		{
		shear[i][0] = shear[i][1] = shear[i][2] = 0.0;
		}

		/* ----------------------------------------------------------------------
		pack values in local atom-based arrays for exchange with another proc
		------------------------------------------------------------------------- */

+1 −0

Original line number	Diff line number	Diff line
		@@ -31,6 +31,7 @@ class FixWallGran : public Fix {
		double memory_usage();
		void grow_arrays(int);
		void copy_arrays(int, int);
		void set_arrays(int);
		int pack_exchange(int, double *);
		int unpack_exchange(int, double *);
		int pack_restart(int, double *);

+1 −0

Original line number	Diff line number	Diff line
		@@ -569,6 +569,7 @@ void AtomVecAngle::create_atom(int itype, double *coord)
		molecule[nlocal] = 0;
		num_bond[nlocal] = 0;
		num_angle[nlocal] = 0;
		nspecial[nlocal][0] = nspecial[nlocal][1] = nspecial[nlocal][2] = 0;

		atom->nlocal++;
		}

+1 −0

Original line number	Diff line number	Diff line
		@@ -512,6 +512,7 @@ void AtomVecBond::create_atom(int itype, double *coord)

		molecule[nlocal] = 0;
		num_bond[nlocal] = 0;
		nspecial[nlocal][0] = nspecial[nlocal][1] = nspecial[nlocal][2] = 0;

		atom->nlocal++;
		}