samples/argon/lj.md

#ifndef __LJ_MD__
#define __LJ_MD__

molecule{
  name = "Ar";
  nAtoms = 1;
  atom[0]{
     type="Ar";
     position( 0.0, 0.0, 0.0 );
  }
}
molecule{
  name = "Ne";
  nAtoms = 1;
  atom[0]{
     type="Ne";
     position( 0.0, 0.0, 0.0 );
  }
}
molecule{
  name = "He";
  nAtoms = 1;
  atom[0]{
     type="He";
     position( 0.0, 0.0, 0.0 );
  }
}
#endif
Revision:	1447
Committed:	Fri Jul 30 21:01:35 2004 UTC (21 years, 3 months ago) by gezelter
File size:	356 byte(s)
Log Message:	Initial import of OOPSE sources into cvs tree
#	User	Rev	Content
1	gezelter	1447	#ifndef __LJ_MD__
2			#define __LJ_MD__
3
4			molecule{
5			name = "Ar";
6			nAtoms = 1;
7			atom[0]{
8			type="Ar";
9			position( 0.0, 0.0, 0.0 );
10			}
11			}
12			molecule{
13			name = "Ne";
14			nAtoms = 1;
15			atom[0]{
16			type="Ne";
17			position( 0.0, 0.0, 0.0 );
18			}
19			}
20			molecule{
21			name = "He";
22			nAtoms = 1;
23			atom[0]{
24			type="He";
25			position( 0.0, 0.0, 0.0 );
26			}
27			}
28			#endif