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/* -*- c++ -*- ----------------------------------------------------------
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.
------------------------------------------------------------------------- */
#ifdef COMPUTE_CLASS
ComputeStyle(pressure/cylinder,ComputePressureCyl)
#else
#ifndef LMP_COMPUTE_PRESSURE_CYLINDER
#define LMP_COMPUTE_PRESSURE_CYLINDER
#include "compute.h"
namespace LAMMPS_NS {
class ComputePressureCyl : public Compute {
public:
ComputePressureCyl(class LAMMPS *, int, char **);
~ComputePressureCyl();
void init();
void init_list(int, class NeighList *);
void compute_array();
double memory_usage();
private:
int nbins,nphi,nzbins;
double *Pr_temp,*Pr_all,*Pz_temp,*Pz_all,*Pphi_temp,*Pphi_all;
double *R,*Rinv,*R2,*PrAinv,*PzAinv,PphiAinv;
double Rmax,bin_width,nktv2p;
double *R2kin,*density_temp,*invVbin,*density_all;
double *tangent,*ephi_x,*ephi_y;
double *binz;
double zlo,zhi;
class NeighList *list;
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: No pair style is defined for compute pressure/cylinder
Self-explanatory.
E: Pair style does not support compute pressure/cylinder
The pair style does not have a single() function, so it can
not be invoked by compute pressure/cylinder.
*/