AVS Modules							DMOL_to_field

NAME:
	DMOL_to_field - This modules reads the graphical output files generated 
			by DMol from Biosym[see REFERENCES], and generates an 
			AVS field. This field can then be manipulated to
			display an isosurface of the electronic charge or use 
			slicers to view the data. An example network is given 
			below.

SUMMARY:
	Name	   DMOL_to_field

	Type       Data Input

	Inputs	   None

	Outputs	   field rectilinear 3D 3-space scalar float

	Parameters 	Name 		Type	Default	Min	Max
                        ----            ----    ------- ---     ---
			File_Name	string	0	0	0


DESCRIPTION:
	The density functional computer program DMol outputs graphical data
(Molecular orbitals, density and electrostatic potential, etc.) each to a
different file. This module reads this data and converts it to a 3D field.


INPUTS:
	None       


PARAMETERS:
	File_Name 
		name of the input data file


OUTPUTS:
		the output field is a 3D grid which contains the scalar value
		of the DMol graphical data.
	

EXAMPLE NETWORK:
                         ---------------------
                         |   display_mopac   |
                         ---------------------
                                   |                                       
                                   |                                        
 ---------------------             |                   ---------------------
 | generate colormap |             |                   |     coord2geom    |
 ---------------------             |                   ---------------------
       |                           |                           |         
       |       |-----|-------------|                           |     
       |       |     |                                         |              
     ---------------------                     ---------------------
     |     isosurface    |                     |        tube       |
     ---------------------                     ---------------------
               |                                         |           
               |                                         |           
               |-------------------+---------------------|           
                                   |                                 
                                   |                                 
                         ---------------------                            
                         |  geometry viewer  | 
                         ---------------------  



REFERENCES:
	B. Delly, J. Chem. Phys., Vol. 92, p. 508, (1990) 
	DMol is available from BIOSYM Technologies, Inc., 
	9685 Scranton Road San Diego, CA 92121


RELATED MODULES:
	display_gaussian
	display_mopac
	coord2geom


SEE ALSO:
	K.M. Flurchick and Lee Bartolotti, "Visualizing Properties of 
	Atomic and Molecular Systems", accepted by Journal of Molecular 
	Graphics.
	Ken Flurchick, Lee Bartolotti and Mark Reed, "Visualizing 
	Atomic and Molecular Properties Using AVS", AVS'94 Proceedings.