! ORIENT display commands

UNITS BOHR

Parameters
      Sites     13 polarizable     11
      S-functions 50000
      Alphas 50000
      Parameter-sets 50000
      Pairs 100000
End

Types
      C          Z     6
      O          Z     8
      N          Z     7
      H1         Z     1
      H2         Z     1
      H3         Z     1
End

Molecule  formamide at  0.0 0.0 0.0
  ! Units BOHR
  C           0.73690219   -0.29016270    0.00000000   Type C
  O          -0.41965533   -2.26421099    0.00000000   Type O
  N          -0.33761508    2.03824113    0.00000000   Type N
  H1          2.82092994   -0.20596490    0.00000000   Type H1
  H2         -2.23332780    2.19617606    0.00000000   Type H2
  H3          0.72278745    3.61139057    0.00000000   Type H3
  ! #include HCONH2_DMA2_L4.mom
End
Edit formamide
   ! #include formamide.axes
   Bonds Auto
End

Units Bohr kJ/mol

! This is a probe of the induction energy
Atom X at 0.0 0.0 0.0 rank 0
  Q00 =  1.0

End

! Not yet tested

Display
  Import Map HCONH2_1.5vdW_ISA_L4L4_ref.grid  ISA-1.5vdW
  
  Colour-map
    0   210  0.25  1
    6   240  0.75  1
   12   300  1.0   0
   18   360  0.75  1
   24   390  0.25  1
  End
  Show ISA-1.5vdW
    Viewport 08
    Colour-scale min -200 max +200 top +200
    Ball-and-stick
  End
End

Finish