15 |
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int is_TS(int, int, int); |
16 |
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int isbond(int,int); |
17 |
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int find_bond(int,int); |
18 |
– |
void transtheta(int *, float *, float *, char *, char *, char *, char *); |
18 |
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void ts_four(int *, float *, float *,char *, char *,char *,char *); |
19 |
|
long ipack(int ,int ,int ,int); |
20 |
|
long kang(int,int,int); |
22 |
|
float get_general_angle(int); |
23 |
|
|
24 |
|
|
26 |
– |
EXTERN struct t_ts_bondorder { |
27 |
– |
float fbnd[15]; |
28 |
– |
} ts_bondorder; |
29 |
– |
|
25 |
|
EXTERN struct t_angk1 { |
26 |
|
int use_ang3, use_ang4, use_ang5; |
27 |
|
int nang, nang3, nang4, nang5; |