int main(){ traj = fopen("myTraj_0721_18p_modified6p.xyz","w"); stateFile = fopen("state_0721.txt","w"); InitialSet(); t=0; while(t<time){ t = t + 1; newcal(); note(); for(a=0;a<N-1;a++){ for(b=a+1;b<N;b++){ CalDist(); CalEdepth(); CalForce(); } } SumForces(); State(); Renew(); } return 0; }
INTEGER newcal_(char *calibration_filename) { return (newcal(fcstring(calibration_filename))); }