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This section descrbes 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.
cd /towheebase/Utilsmake xmd2towhee
xmd2towhee is compiled using the Utility Makefile.
xmd2towhee executable that is run from the command line.
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When you run this program from the command line it asks 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.
- Please enter a filename
- The name of the XMD file you wish to translate into Towhee format.