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root/freemol/trunk/src/mengine/src/ebond.c
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# Line 12 | Line 12
12   // ebond1(nbnd,i12,type,tclass,use,x,y,z,bl,bk,*estr,**destr)
13   void ebond(int nbnd,int (*)[2],int *type,int *tclass,int *use,double *x,double *y,double *z,double *bl,double *bk,double *estr);
14   void ebond1(int natom,int nbnd,int (*)[2],int *type,int *tclass,int *use,double *x,double *y,double *z,double *bl,double *bk,double *estr,double **deb);
15 < 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);
15 > void ebond2(int ia,int (*)[2],int **,int **,double *x,double *y,double *z,double *bl,double *bk,float **hessx,float **hessy,float **hessz);
16  
17   //  ===========================
18   void ebond(int nbnd,int i12[MAXBND][2],int *type,int *tclass,int *use,double *x,double *y,double *z,double *bl,double *bk,double *estr)
# Line 115 | Line 115
115     }
116   }
117   // =============================================  
118 < void ebond2(int ia,int i12[MAXBND][2],int iat[MAXATOM][MAXIAT],int bo[MAXATOM][MAXIAT],double *x,double *y,double *z,double *bl,double *bk,float **hessx,float **hessy,float **hessz)
118 > void ebond2(int ia,int i12[MAXBND][2],int **iat,int **bo,double *x,double *y,double *z,double *bl,double *bk,float **hessx,float **hessy,float **hessz)
119   {
120      int j,k,m,ibond;
121      double  dt,dt2;

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