INPUTFILE {file}
INPUTFILE keyword specifies path to the TAPE21 file from which densf reads the input data. Absence of the keyword is treated as if INPUTFILE TAPE21 has been specified.
OUTPUTFILE {file}
OUTPUTFILE keyword specifies path to the (possibly existing) TAPE41 file. If the file exists, densf will read grid specifications from it ignoring GRID keyword in the input. Computed quantities are saved in the file overwriting existing data with the same name, if any.
VTKFILE {file}
VTKFILE keyword specifies path to a file in the format readable by VTK directly. This option exists primarily for better integration with ADF-GUI and the user should not specify it.
CUBINPUT {file}
If the CUBINPUT keyword is present then the grid as specified in the file is used to calculate all requested quantities. Any volume data found in the cube file is also saved in the output file. NOTE: CUBINPUT option cannot be used with a pre-existing TAPE41 file because they both specify the grid, which may lead to a conflict.
CUBOUTPUT {file}
Presence of the CUBOUTPUT keyword tells densf to save all computed quantities as cube files using file as filename prefix. The prefix can also contain a complete path including directories. For example, specifying the following in the densf input
CUBOUTPUT /home/myhome/H2O Density SCF
will result in a file /home/myhome/H2O%SCF%Density.cub being created containing volume data for the total SCF density. One file per requested quantity is created.
The OUTPUTFILE, CUBOUTPUT and VTKFILE options are mutually exclusive. Absence of any of these options is treated as if OUTPUTFILE TAPE41 has been specified.
