521
521
1260 FORMAT(5X,' ewald summation: cut radius=',F8.2,' and',I3)
522
522
1261 FORMAT(5X,' madelung=',f11.8)
523
523
1270 FORMAT(/' technical parameters:')
525
525
1272 FORMAT(5x, ' rotation constrained')
526
526
1280 FORMAT(5X, ' time step=',F10.2,5X,'ficticious mass=',F10.1)
527
527
1290 FORMAT(5X, ' tolerance=',E8.3,' (energy)',E12.3,