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Overview
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.
Compiling
xmd2towhee.F is a stand alone program so on a unix machine you would compile the code using a statement
similar to
gfortran xmd2towhee.F -o xmd2towhee.x
This will create the xmd2towhee.x executable which can then be run from the command line.
Features
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.
- Please enter a filename
The name of the XMD file you wish to translate into Towhee format.
Return to the Utility Summary page
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