Rust, Fortran, and Ruby interfaces

Rust, Fortran, and Ruby interfaces#

The Fortran, and Ruby interfaces are expected to work at a certain level, but not supported as well as the Python interface.

Fortran interface#

Fortran interface spglib.f90 is found in example directory. This fortran interface is originally contributed by Dimitar Pashov and has been updated by some other people. spglib_f.c is obsolete and is not recommended to use.

Rust interface#

Rust interface contributed by Seaton Ullberg. The documentation is found at

Julia interface#

Julia interface contributed by Qi Zhang. The documentation is found at

Ruby interface#

Note that this ruby interface was written in ancient times, so may not work with the recent ruby.

The ruby script symPoscar.rb in ruby directory reads a VASP POSCAR formatted file and finds the space-group type. The -l option refines a slightly distorted structure within tolerance specified with the -s option. The -o option gives the symmetry operations of the input structure.

% ruby symPoscar.rb POSCAR -s 0.1 -o -l

Some more options are shown with --help option:

% ruby symPoscar.rb --help

The way to compile the ruby module is explained in ruby/README.