menu.mv

来自「已经编译好的levoo程序」· MV 代码 · 共 29 行

 ______ So, your system point group is C2h
        with elements:
UNIT    I   P1  C21
 
Choose an option:
 
>>>>>> atoms are numbered across species <<<<<<<
 
  1. Specify atom to be moved and show all equivalent
  2. Choose the method of displacing atoms
  M. Move it!
-------------- g e n e r a l  s e t t i n g s ----------------
  UU. ******  RESTORE the original serting ******
  U. ********** UNDO *********** the last step
  XY. Produce <geom.xyz> file after every change for Xmol
  Hs. H atoms to be added to <geom.xyz> file: NO
 An. [For input] Coordinates are specified in: <AtomNumber>
 Sy. Check the symmetry after distortion
 Co. Show current atomic positions in fractional/Cartesian
 Bb. Set the size of the breeding box for visualisation
        >>>>> Current setting for the breeding box: <<<<<
             [ 0... 0] x [ 0... 0] x [ 0... 0]
        >>>>> extension =   1, # of atoms=  65
  W. Write <geom.xyz> file to preview using current breeding
  S. Save.
  Q. Proceed/Quit
 
----------> Choose the appropriate option: