xmd Code

41 lines (25 with data), 1.0 kB

TO DO?

( )  Add macro command?  $F(number,%?)

( )  Evaluate input strings for macros from string end to beginning
     This will do the following,
        macro $file  temp.fil
        macro $file1 first.fil
        macro $file2 second.fil
        macro $a 1
        macro $b 2
        write file $file$a particle
        write file $file$b particle

		$file$a will evaluate to $file1 then to first.fil
		$file$b will evaluate to $file2 then to second.fil

		The previous method would have given
 
      $file$a -> temp.fil$a -> temp.fil1
		$file$b -> temp.fil$b -> temp.fil2

( )  Encapsulate all access to a->bcur a->bref so that we can use with
     triclinic boundary conditions.

( )  Implement triclinic boundary conditions

( )  Add SELECT CYLINDER command to match FILL BOUNDARY CYLINDER

( )  Make FILL BOUNDARY commands follow SELECT commands by abstracting
     out functions such as IsInCylinder(Coord_t, Cylinder_t).

( )  Implement Coord_t[] for a->cur, a->f, etc.

( )  Implement modified embedded atom method




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