git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@266 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2007-01-30 22:09:31 +00:00
parent 4d65cd25f5
commit 69f212d0c3
3 changed files with 23 additions and 12 deletions

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@ -0,0 +1,20 @@
/* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
#ifdef PairInclude
#include "pair_meam.h"
#endif
#ifdef PairClass
PairStyle(meam,PairMEAM)
#endif

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@ -16,16 +16,8 @@
#include "pointers.h"
#define TIME_N 8
#define TIME_TOTAL 0
#define TIME_LOOP 1
#define TIME_PAIR 2
#define TIME_BOND 3
#define TIME_KSPACE 4
#define TIME_NEIGHBOR 5
#define TIME_COMM 6
#define TIME_OUTPUT 7
enum{TIME_LOOP,TIME_PAIR,TIME_BOND,TIME_KSPACE,TIME_NEIGHBOR,
TIME_COMM,TIME_OUTPUT,TIME_N};
namespace LAMMPS_NS {

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@ -92,9 +92,8 @@ void Update::init()
void Update::set_units(char *style)
{
// physical constants from:
// http://physics.nist.gov/cuu/Constants/Table/allascii.txt
// http://physics.nist.gov/cuu/Constants/Table/allascii.txt
// using thermochemical calorie = 4.184 J
if (strcmp(style,"lj") == 0) {