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root/OpenMD/trunk/samples/shape/linear.shape
Revision: 517
Committed: Wed Apr 27 20:14:03 2005 UTC (20 years ago) by chrisfen
File size: 583 byte(s)
Log Message:
Got rid of write statements and am closer to a working shapes

File Contents

# User Rev Content
1 gezelter 156 begin ShapeInfo
2     #name mass I_xx I_yy I_zz
3 chrisfen 517 linear 48.0428 86.477 86.477 0
4 gezelter 156 end ShapeInfo
5    
6     begin ContactFunctions
7     #l m sin or cos coeff (Ang)
8 chrisfen 517 0 0 cos 4.35343
9     2 0 cos 2.60069
10     4 0 cos -0.125308
11     6 0 cos -0.0743899
12 gezelter 156 end ContactFunctions
13    
14     begin RangeFunctions
15     #l m sin or cos coeff (Ang)
16 chrisfen 517 0 0 cos 3.71718
17     4 0 cos -0.844367
18     6 0 cos 0.33514
19     8 0 cos 0.395519
20     10 0 cos -1.23786
21     12 0 cos 0.300902
22     14 0 cos 1.05381
23 gezelter 156 end RangeFunctions
24    
25     begin StrengthFunctions
26     #l m sin or cos coeff (kcal/mol)
27 chrisfen 517 0 0 cos 0.784136
28     2 0 cos -0.85371
29     4 0 cos 0.391814
30     6 0 cos -0.102928
31 gezelter 156 end StrengthFunctions