81 |
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void esolv1(int natom,double chrgcut,int **skip,int *mmx_type,int *use,double *charge,double *x,double *y,double *z,double *esolv,double **desolv,double *drb); |
82 |
|
|
83 |
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void hessian(int, double *,int *, int *, int *,double *); |
84 |
< |
void ebond2(int ia,int (*)[2],int (*)[MAXIAT],int (*)[MAXIAT],double *x,double *y,double *z,double *bl,double *bk,float **hessx,float **hessy,float **hessz); |
84 |
> |
void ebond2(int ia,int (*)[2],int **,int **,double *x,double *y,double *z,double *bl,double *bk,float **hessx,float **hessy,float **hessz); |
85 |
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void eangle2(int i,int nang,int (*)[4],int *angin, double *x,double *y,double *z,float *acon,float *anat,double **dea,float **hessx,float **hessy,float **hessz); |
86 |
|
void etorsion2(int iatom,int ntor,int **i14,int *use,double *x,double *y,double *z,int *phin1,int *phin2,int *phin3,int *phin4,int *phin5,int *phin6,float *vin1,float *vin2, |
87 |
|
float *vin3,float *vin4,float *vin5,float *vin6,float **hessx,float **hessy,float **hessz); |