759
759
1260 FORMAT(5X,' ewald summation: cut radius=',F8.2,' and',I3)
760
760
1261 FORMAT(5X,' madelung=',f11.8)
761
761
1270 FORMAT(/' technical parameters for minimizer:')
763
763
1272 FORMAT(5x, ' rotation constrained')
764
764
1280 FORMAT(5X, ' time step=',F10.2,5X,'ficticious mass=',F10.1)
765
765
1281 FORMAT(5X, ' maximum iterations =',I8,