This section explains the xmd2towhee Towhee utility program. This program converts EAM force field files that are in the XMD format into a format
suitable for use in Towhee.
xmd2towhee may be compiled using the Utility Makefile.
This will create the xmd2towhee.x executable which can then be run from the command line.
- cd /towheebase/Utils
- make xmd2towhee
When you run this program from the command line it will ask you for the name of an XMD format file to read in and it will output Towhee force
field information to the file towhee_eam. In order for this translation routine to function properly you must reorder the XMD files slightly.
The data in the XMD file must first be the pair potential information, then the embedding, and finally the densities.
Return to the Utility Summary page
- Please enter a filename
The name of the XMD file you wish to translate into Towhee format.