Input Information

DICE needs two input files: st_input and ljname and use a third outname.cm or outname.xy optionally.

The input file st_input is read in the logical unit 5 (st_input = standard input). In this file, the lines, that start with #, are understood as comments and the information are associated with keywords.
 

Keywords that MUST be declared ALWAYS:
     ljname =
     outname =
     seed =
     upbuf =
     ncores =
     $end
 

Keywords that MUST be declared IF the initial configuration does not exist (outname.dat) or
     init = yes or yesread:
     nmol =
     dens =
 

If the initial configuration (outname.dat file)  

Default values:
     geom = 0
     temp = 298.15
     press = 1
     accum = no
     vstep = 0
     iprint = 1
     isave = 1000