43 lines
1.1 KiB
C++
43 lines
1.1 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef FIX_NVE_SPHERE_H
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#define FIX_NVE_SPHERE_H
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#include "fix.h"
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namespace LAMMPS_NS {
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class FixNVESphere : public Fix {
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public:
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FixNVESphere(class LAMMPS *, int, char **);
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~FixNVESphere();
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int setmask();
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void init();
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void initial_integrate(int);
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void final_integrate();
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void initial_integrate_respa(int, int, int);
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void final_integrate_respa(int);
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void reset_dt();
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private:
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int extra;
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double dtv,dtf,dtfrotate;
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double *step_respa;
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double *dttype;
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};
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}
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#endif
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