/libmcphase

Fork / rewrite of McPhase as a python library

Primary LanguageC++GNU General Public License v3.0GPL-3.0

libMcPhase

libMcPhase is a fork of the McPhase project intended to be a partial rewrite of the code as a Python library.

McPhase was originally developed as a series of C, C++, Perl and Basic programs. The C/C++04 codes used the MATPACK and LAPACK linear algebra libraries.

libMcPhase will update the code to C++11 and use the Eigen header library instead of MATPACK/LAPACK. PyBind11 is used as the python binding.

Initially only the single-ion calculation modules so1ion, ic1ion and cluster will be ported to C+11.