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Overview
This section explains the faux2towhee utility program.
This program is designed to translate some zeolite coordinate files that were kindly provided to me by
David Faux into a format suitable for Towhee. This utility is unlikely to be of use to anyone else,
but may serve as an example for other one-time file translations.
Compiling
faux2towhee.F is a stand alone program so on a unix machine you would compile the code using a statement
similar to
gfortran faux2towhee.F -o faux2towhee.x
This will create the faux2towhee.x executable which can then be run from the command line.
Features
This is a very crude routine and requires the user to edit the Fortran code in order to set
variables like the file names and Towhee inpstyle. It requires two files named faux_4a.atoms
and faux_4a.ang and it outputs a towhee_altinp and towhee_coords file that were used to setup
the zeolite portion of the Catlow_Zeolite_4a
example.
Return to the Utility Summary page
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