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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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18
src/create_box.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
@ -22,16 +22,20 @@
#include "update.h"
#include "error.h"
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
CreateBox::CreateBox(LAMMPS *lmp) : Pointers(lmp) {}
/* ---------------------------------------------------------------------- */
void CreateBox::command(int narg, char **arg)
{
if (atom == NULL)
error->all("Cannot create_box until atom_style is defined");
if (domain->box_exist)
error->all("Cannot create_box after simulation box is defined");
if (narg != 2) error->all("Illegal create_box command");
if (domain->box_exist)
error->all("Cannot create_box after simulation box is defined");
if (force->dimension == 2 && domain->zperiodic == 0)
error->all("Cannot run 2d simulation with nonperiodic Z dimension");
@ -90,7 +94,7 @@ void CreateBox::command(int narg, char **arg)
atom->nimpropertypes = 0;
// problem setup using info from header
// no call to atom->grow since create_atoms or insertion will do that
// no call to atom->grow since create_atoms or fixes will do it
update->ntimestep = 0;