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 = "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:	1024
Committed:	Wed Aug 30 18:42:29 2006 UTC (19 years, 2 months ago) by tim
Original Path:	*trunk/samples/argon/lj.md*
File size:	322 byte(s)
Log Message:	Massive changes preparing for release of OOPSE-4: The main difference is that the new MD file format (.md, .dump, .eor) now contains meta-data information along with the configuration information.
#	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			name = "Ne";
13	tim	790
14	gezelter	2	atom[0]{
15			type="Ne";
16			position( 0.0, 0.0, 0.0 );
17			}
18			}
19			molecule{
20			name = "He";
21	tim	790
22	gezelter	2	atom[0]{
23			type="He";
24			position( 0.0, 0.0, 0.0 );
25			}
26			}
27			#endif