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fix_uniaxial.h
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Wed, Sep 18, 19:55

fix_uniaxial.h

/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
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_UNIAXIAL_H
#define FIX_UNIAXIAL_H
#include "fix.h"
namespace LAMMPS_NS {
class FixUniaxial : public Fix {
public:
FixUniaxial(class LAMMPS *, int, char **);
~FixUniaxial();
int setmask();
void init();
void end_of_step();
private:
int dir;
double lambda_final;
double alpha0; // asymmetry parameter
double lambdai[3]; // initial
double lambdaf[3]; // final
double domainloi[3]; // initial box lo/hi
double domainhii[3];
double *domainlo[3]; // pointers to make loop over dims possible
double *domainhi[3];
double *domainprd[3];
int kspace_flag; // 1 if KSpace invoked, 0 if not
int nrigid; // number of rigid fixes
int *rfix; // indices of rigid fixes
};
#endif
}

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