summaryrefslogtreecommitdiff
path: root/sim/src/readers.h
blob: cd21c018eaf859fe4d8f12388cd8b27ee7fb512b (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
// Copyright 2005-2006 Nanorex, Inc.  See LICENSE file for details. 
#ifndef READERS_H_INCLUDED
#define READERS_H_INCLUDED

#define RCSID_READERS_H  "$Id$"

extern void makatom(int elem, struct xyz posn);

extern void makbond(int a, int b, char ord);

extern void maktorq(int center, int a, int b);

extern void makvdw(int a1, int a2);

extern int makcon(int typ, struct MOT *mot, int n, int *atnos);

extern struct MOT *makmot(double stall, double speed, struct xyz vec1,  struct xyz vec2);

extern void makmot2(int i);

extern struct MOT *maklmot(double force, double stiff, struct xyz vec1,  struct xyz vec2);

extern void maklmot2(int i);

extern void filred(char *filnam);

extern struct xyz *readXYZ(char *filename, int *natoms);

#endif