Debyer and companion programs analyze and manipulate atomistic models. In particular, debyer can calculate powder diffraction pattern of virtual sample using the Debye scattering formula. This project used to be hosted at google code.

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is kept in doc/ and can be read at http://debyer.readthedocs.org/

When installing from git, you must have autoconf, automake and gengetopt, and run first:

autoreconf -i

zlib and bzlib libraries are optional prerequisites. Building is typical:

./configure [OPTIONS]
make
sudo make install

If you don't have zlib or bzlib libraries installed, use --without-zlib or --without-bzlib options, respectively -- the programs will work fine, just won't be able to read .gz and .bz2 files.

The make command builds debyer and a few programs with the prefix dbr_.

The make install command installs the programs, except for a couple of undocumented and unfinished ones.

A few configure options have been introduced to speed up the debyer program:

• --enable-mpi builds parallel (MPI) version of debyer
• --enable-single uses single precision (double precision is default)
• CFLAGS - the debyer program can be safely compiled with GCC -ffast-math option.