samples/argon/lj.md

#ifndef __LJ_MD__
#define __LJ_MD__
molecule{
  name = "Ar";
  
  atom[0]{
     type="Ar";
     position( 0.0, 0.0, 0.0 );
  }
}
molecule{
  name = "Kr";
  
  atom[0]{
     type="Kr";
     position( 0.0, 0.0, 0.0 );
  }
}
molecule{
  name = "Ne";
  
  atom[0]{
     type="Ne";
     position( 0.0, 0.0, 0.0 );
  }
}
molecule{
  name = "He";
  
  atom[0]{
     type="He";
     position( 0.0, 0.0, 0.0 );
  }
}
#endif
Revision:	1465
Committed:	Fri Jul 9 23:08:25 2010 UTC (14 years, 9 months ago) by chuckv
File size:	415 byte(s)
Log Message:	Creating busticated version of OpenMD
#	User	Rev	Content
1	gezelter	2	#ifndef __LJ_MD__
2			#define __LJ_MD__
3			molecule{
4			name = "Ar";
5	tim	790
6	gezelter	2	atom[0]{
7			type="Ar";
8			position( 0.0, 0.0, 0.0 );
9			}
10			}
11			molecule{
12	gezelter	1061	name = "Kr";
13
14			atom[0]{
15			type="Kr";
16			position( 0.0, 0.0, 0.0 );
17			}
18			}
19			molecule{
20	gezelter	2	name = "Ne";
21	tim	790
22	gezelter	2	atom[0]{
23			type="Ne";
24			position( 0.0, 0.0, 0.0 );
25			}
26			}
27			molecule{
28			name = "He";
29	tim	790
30	gezelter	2	atom[0]{
31			type="He";
32			position( 0.0, 0.0, 0.0 );
33			}
34			}
35			#endif