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root/freemol/trunk/src/mengine/src/ehal.c
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# Line 141 | Line 141
141            lde14[i][2] = 0.0;
142        }
143  
144 < #pragma omp parallel for private(i,j,ia,ib,ita,itb,xi,yi,zi,xk,yk,zk,xr,yr,zr,rik,rik2,rv,eps,rv7,rv14,rik6,rik7,rho,tau,tau7,tau8,e,de,dedx,dedy,dedz,skipij) \
145 <     shared(x,y,z,use,type,skip,vrad,veps,sigma,kappa7,cutoff,natom,v14scale) reduction(+:sum_evdw,sum_e14) firstprivate(ldevdw,lde14) lastprivate(ldevdw,lde14)
144 >      //#pragma omp parallel for private(i,j,ia,ib,ita,itb,xi,yi,zi,xk,yk,zk,xr,yr,zr,rik,rik2,rv,eps,rv7,rv14,rik6,rik7,rho,tau,tau7,tau8,e,de,dedx,dedy,dedz,skipij) \
145 >      //shared(x,y,z,use,type,skip,vrad,veps,sigma,kappa7,cutoff,natom,v14scale) reduction(+:sum_evdw,sum_e14) firstprivate(ldevdw,lde14) lastprivate(ldevdw,lde14)
146        for (i=1; i < natom; i++)
147        {
148           ia = i;

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