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root/freemol/trunk/smi23d/src/mengine/pcmsiz.h
Revision: 3
Committed: Mon Jun 9 21:38:26 2008 UTC (11 years, 6 months ago) by tjod
File size: 1267 byte(s)
Log Message:
test

Line File contents
1 #define MAXATOM 2500
2 #define MAXORB 100
3 #define MAXIAT 15
4 #define MAXSSCLASS 32
5 #define MAXSS 32
6
7 #define MAXBND 6*MAXATOM/5
8 #define MAXANG 12*MAXATOM/5
9 #define MAXTOR 4*MAXATOM
10 #define MAXCBND 100
11
12 #define MTC 300+MAXORB*3
13 #define MAXVDW 500
14 #define MAXVDWCONST 500
15 #define MAXFILE 2000
16 #define MAXDIHED 6400
17 #define MAXRDUES 200
18
19 #define MAXATOMTYPE 500
20 #define MAXCLASS 400
21
22 #define MAXBONDCONST 3000
23 #define MAXBOND3CONST 100
24 #define MAXBOND4CONST 200
25 #define MAXBOND5CONST 300
26 #define MAXBONDDELOC 100
27
28 #define MAXANGCONST 3000
29 #define MAXANG3CONST 100
30 #define MAXANG4CONST 200
31 #define MAXANG5CONST 300
32 #define MAXANGDEL 500
33 #define MAXANG3DEL 100
34 #define MAXANG4DEL 200
35 #define MAXUREY 150
36
37 #define MAXOOP 200
38 #define MAXIMP 200
39 #define MAXAA 50
40 #define MAXSTBN 500
41 #define MAXSTRTOR 50
42
43 #define MAXTORCONST 2000
44 #define MAXTOR4CONST 500
45 #define MAXTOR5CONST 500
46 #define MAXTORDEL 200
47
48 // Pi const
49 #define MAXPIATOM 50
50 #define MAXPIBONDCONST 100
51 #define MAXPIANGCONST 100
52 #define MAXPITORCONST 300