fix_gran_diag.h
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fix_gran_diag.h
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			/* ----------------------------------------------------------------------
			LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
			www.cs.sandia.gov/~sjplimp/lammps.html
			Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories

			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
			the GNU General Public License.

			See the README file in the top-level LAMMPS directory.
			------------------------------------------------------------------------- */

			#ifndef FIX_GRAN_DIAG_H
			#define FIX_GRAN_DIAG_H

			#include "stdio.h"
			#include "fix.h"

			class FixGranDiag : public Fix {
			public:
			FixGranDiag(int, char **);
			~FixGranDiag();
			int setmask();
			void init();
			void setup();
			void end_of_step();

			private:
			int me,first,pairstyle,nlayers,maxlayers;
			FILE fpden,fpvel,*fpstr;
			double stepz,stepinv,PI,boxzlo;
			double dt,xkk,xkkt,xmu,gamman_dl,gammas_dl;
			int freeze_group_bit;

			int *numdens;
			double *dendens;
			double velx,vely,*velz;
			double velxx,velyy,velzz,velxy,velxz,velyz;
			double sigxx,sigyy,sigzz,sigxy,sigxz,sigyz;
			double velx11,vely11,*velz11;
			double velxx11,velyy11,velzz11,velxy11,velxz11,velyz11;
			double velfxx,velfyy,velfzz,velfxy,velfxz,velfyz;
			double sigx2,sigy2,sigz2,sigxy2,sigxz2,sigyz2;

			void allocate();
			void deallocate();
			void stress_no_history();
			void stress_history();
			void stress_hertzian();
			};

			#endif