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root/freemol/trunk/smi23d/src/mengine/atom_k.h
Revision: 3
Committed: Mon Jun 9 21:38:26 2008 UTC (12 years, 1 month ago) by tjod
File size: 587 byte(s)
Log Message:
test

Line User Rev File contents
1 tjod 3 EXTERN struct t_atom_k {
2     int natomtype;
3     int type[MAXATOMTYPE], valency[MAXATOMTYPE];
4     int tclass[MAXCLASS], tclass1[MAXCLASS], tclass2[MAXCLASS];
5     char symbol[MAXATOMTYPE][5], description[MAXATOMTYPE][21];
6     int number[MAXATOMTYPE];
7     float weight[MAXATOMTYPE];
8     int ligands[MAXATOMTYPE];
9     } atom_k;
10     EXTERN struct t_atom_def {
11     int natomtype;
12     int type[MAXATOMTYPE],valency[MAXATOMTYPE],number[MAXATOMTYPE],ligands[MAXATOMTYPE];
13     float weight[MAXATOMTYPE];
14     char symbol[MAXATOMTYPE][5];
15     } atom_def;
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