ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@26 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2006-09-27 19:51:33 +00:00
parent 3422cb245c
commit 222c95507e
536 changed files with 108384 additions and 0 deletions
Download Patch File Download Diff File Expand all files Collapse all files

64
src/lammps.cpp Normal file
View File

@ -0,0 +1,64 @@
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
www.cs.sandia.gov/~sjplimp/lammps.html
Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
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.
------------------------------------------------------------------------- */
// parent class for all of LAMMPS
// all other classes inherit from this
// contains static ptrs to single instance of other classes
// contains MPI communicator and file handles for my world of procs
#include "mpi.h"
#include "stdlib.h"
#include "lammps.h"
#include "system.h"
// set static ptrs to NULL
System *LAMMPS::sys = NULL;
Universe *LAMMPS::universe = NULL;
Input *LAMMPS::input = NULL;
Memory *LAMMPS::memory = NULL;
Error *LAMMPS::error = NULL;
Atom *LAMMPS::atom = NULL;
Update *LAMMPS::update = NULL;
Neighbor *LAMMPS::neighbor = NULL;
Comm *LAMMPS::comm = NULL;
Domain *LAMMPS::domain = NULL;
Force *LAMMPS::force = NULL;
Modify *LAMMPS::modify = NULL;
Group *LAMMPS::group = NULL;
Output *LAMMPS::output = NULL;
Timer *LAMMPS::timer = NULL;
MPI_Comm LAMMPS::world = 0;
FILE *LAMMPS::infile = NULL;
FILE *LAMMPS::screen = NULL;
FILE *LAMMPS::logfile = NULL;
/* ---------------------------------------------------------------------- */
void LAMMPS::open(int narg, char **arg, MPI_Comm communicator)
{
sys = new System();
sys->open(narg,arg,MPI_COMM_WORLD);
sys->create();
}
/* ---------------------------------------------------------------------- */
void LAMMPS::close()
{
sys->destroy();
sys->close();
delete sys;
}