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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@254 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-01-30 00:22:05 +00:00
parent 9cdbeaf9f2
commit 209f169cbc
414 changed files with 6935 additions and 10462 deletions
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16
src/update.cpp
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@ -1,7 +1,7 @@
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
www.cs.sandia.gov/~sjplimp/lammps.html
Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
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
@ -25,9 +25,11 @@
#undef IntegrateInclude
#undef MinimizeInclude
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
Update::Update()
Update::Update(LAMMPS *lmp) : Pointers(lmp)
{
int n;
char *str;
@ -46,13 +48,13 @@ Update::Update()
n = strlen(str) + 1;
integrate_style = new char[n];
strcpy(integrate_style,str);
integrate = new Verlet(0,NULL);
integrate = new Verlet(lmp,0,NULL);
str = "cg";
n = strlen(str) + 1;
minimize_style = new char[n];
strcpy(minimize_style,str);
minimize = new MinCG();
minimize = new MinCG(lmp);
}
/* ---------------------------------------------------------------------- */
@ -140,7 +142,7 @@ void Update::create_integrate(int narg, char **arg)
#define IntegrateClass
#define IntegrateStyle(key,Class) \
else if (strcmp(arg[0],#key) == 0) integrate = new Class(narg-1,&arg[1]);
else if (strcmp(arg[0],#key) == 0) integrate = new Class(lmp,narg-1,&arg[1]);
#include "style.h"
#undef IntegrateClass
@ -164,7 +166,7 @@ void Update::create_minimize(int narg, char **arg)
#define MinimizeClass
#define MinimizeStyle(key,Class) \
else if (strcmp(arg[0],#key) == 0) minimize = new Class();
else if (strcmp(arg[0],#key) == 0) minimize = new Class(lmp);
#include "style.h"
#undef MinimizeClass