63 lines
2.0 KiB
C++
63 lines
2.0 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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#include "stdlib.h"
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#include "string.h"
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#include "min.h"
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#include "error.h"
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using namespace LAMMPS_NS;
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#define SCAN 0 // same as in min_cg.cpp
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#define SECANT 1
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/* ---------------------------------------------------------------------- */
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Min::Min(LAMMPS *lmp) : Pointers(lmp)
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{
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linestyle = SECANT;
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dmin = 1.0e-5;
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dmax = 0.1;
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lineiter = 10;
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}
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/* ---------------------------------------------------------------------- */
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void Min::modify_params(int narg, char **arg)
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{
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if (narg == 0) error->all("Illegal min_modify command");
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int iarg = 0;
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while (iarg < narg) {
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if (strcmp(arg[iarg],"linestyle") == 0) {
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if (iarg+2 > narg) error->all("Illegal min_modify command");
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if (strcmp(arg[iarg+1],"scan") == 0) linestyle = SCAN;
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else if (strcmp(arg[iarg+1],"secant") == 0) linestyle = SECANT;
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else error->all("Illegal min_modify command");
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iarg += 2;
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} else if (strcmp(arg[iarg],"dmin") == 0) {
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if (iarg+2 > narg) error->all("Illegal min_modify command");
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dmin = atof(arg[iarg+1]);
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iarg += 2;
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} else if (strcmp(arg[iarg],"dmax") == 0) {
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if (iarg+2 > narg) error->all("Illegal min_modify command");
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dmax = atof(arg[iarg+1]);
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iarg += 2;
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} else if (strcmp(arg[iarg],"lineiter") == 0) {
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if (iarg+2 > narg) error->all("Illegal min_modify command");
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lineiter = atoi(arg[iarg+1]);
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iarg += 2;
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} else error->all("Illegal min_modify command");
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}
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}
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