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