metals/surfaces/metals.md

#ifndef __METALS_MD__
#define __METALS_MD__

molecule{
  name = "Au";
  
  atom[0]{
     type="Au";
     position( 0.0, 0.0, 0.0 );
  }
}
molecule{
  name = "Ag";
  
  atom[0]{
     type="Ag";
     position( 0.0, 0.0, 0.0 );
  }
}
molecule{
  name = "Pt";
  
  atom[0]{
     type="Pt";
     position( 0.0, 0.0, 0.0 );
  }
}

molecule{
  name = "Cu";
  
  atom[0]{
     type="Cu";
     position( 0.0, 0.0, 0.0 );
  }
}

molecule{
  name = "Ni";
  
  atom[0]{
     type="Ni";
     position( 0.0, 0.0, 0.0 );
  }
}

molecule{
  name = "Pd";
  
  atom[0]{
     type="Pd";
     position( 0.0, 0.0, 0.0 );
  }
}
#endif
Revision:	1465
Committed:	Fri Jul 9 23:08:25 2010 UTC (14 years, 11 months ago) by chuckv
File size:	613 byte(s)
Log Message:	Creating busticated version of OpenMD
#	User	Rev	Content
1	chuckv	1232	#ifndef __METALS_MD__
2			#define __METALS_MD__
3
4			molecule{
5			name = "Au";
6
7			atom[0]{
8			type="Au";
9			position( 0.0, 0.0, 0.0 );
10			}
11			}
12			molecule{
13			name = "Ag";
14
15			atom[0]{
16			type="Ag";
17			position( 0.0, 0.0, 0.0 );
18			}
19			}
20			molecule{
21			name = "Pt";
22
23			atom[0]{
24			type="Pt";
25			position( 0.0, 0.0, 0.0 );
26			}
27			}
28	chuckv	1236
29	chuckv	1235	molecule{
30			name = "Cu";
31
32			atom[0]{
33			type="Cu";
34			position( 0.0, 0.0, 0.0 );
35			}
36			}
37
38	chuckv	1236	molecule{
39			name = "Ni";
40
41			atom[0]{
42			type="Ni";
43			position( 0.0, 0.0, 0.0 );
44			}
45			}
46	chuckv	1235
47	chuckv	1236	molecule{
48			name = "Pd";
49
50			atom[0]{
51			type="Pd";
52			position( 0.0, 0.0, 0.0 );
53			}
54			}
55	chuckv	1232	#endif