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 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 spglib_f.c is obsolete and is not recommended to use.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 contributed by Seaton Ullberg. The documentation is found at https://docs.rs/crate/spglib/.
Note that this ruby interface was written in ancient times, so may not work with the recent ruby.
The ruby script
ruby directory reads a VASP
POSCAR formatted file and finds the space-group type. The
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
% ruby symPoscar.rb --help
The way to compile the ruby module is explained in ruby/README.