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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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19
src/run.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
@ -14,7 +14,6 @@
#include "stdlib.h"
#include "string.h"
#include "run.h"
#include "system.h"
#include "domain.h"
#include "update.h"
#include "integrate.h"
@ -24,11 +23,17 @@
#include "timer.h"
#include "error.h"
using namespace LAMMPS_NS;
#define MIN(a,b) ((a) < (b) ? (a) : (b))
#define MAX(a,b) ((a) > (b) ? (a) : (b))
/* ---------------------------------------------------------------------- */
Run::Run(LAMMPS *lmp) : Pointers(lmp) {}
/* ---------------------------------------------------------------------- */
void Run::command(int narg, char **arg)
{
if (narg < 1) error->all("Illegal run command");
@ -123,7 +128,7 @@ void Run::command(int narg, char **arg)
else update->endstep = update->laststep;
if (preflag || update->first_update == 0) {
sys->init();
lmp->init();
update->integrate->setup();
} else {
timer->init();
@ -136,7 +141,7 @@ void Run::command(int narg, char **arg)
update->integrate->cleanup();
Finish finish;
Finish finish(lmp);
finish.end(postflag);
// perform multiple runs interleaved with invocation of a command
@ -161,7 +166,7 @@ void Run::command(int narg, char **arg)
else update->endstep = update->laststep;
if (preflag || iter == 0) {
sys->init();
lmp->init();
update->integrate->setup();
} else {
timer->init();
@ -174,7 +179,7 @@ void Run::command(int narg, char **arg)
update->integrate->cleanup();
Finish finish;
Finish finish(lmp);
if (postflag || nleft == 0) finish.end(1);
else finish.end(0);