menu.quadr-0

来自「已经编译好的levoo程序」· QUADR-0 代码 · 共 18 行

 ..............MENU for QUADRUPOLE ....................
 ......... Change these parameters if necessary:.......
 
   1. Charges of nucleii by species: 
       6  1
   2. The center of your sphere:
 A=> (   0.000,   0.000,   0.000), fr=> (   0.000,   0.000,   0.000)
   3. The sphere radius (Angstroms):    5.00000
   6. Calculate quadrupole tensor.
-------  G e n e r a l  s e t t i n g s ---------
   0. Coordinates are specified in: <Angstroms> 
   4. Algorithm for charge integration is FIXED to: <nonconserv>
   5. X,Y,Z integration grid inside the sphere:    40
------ L e a v e   t h e   m e n u -------------
   8. Return to the previous menu
 
 ------> Choose the item and press ENTER: