Metadata-Version: 1.1
Name: quantarhei
Version: 0.0.28
Summary: Quantarhei: Open Quantum System Theory for Molecular Systems
Home-page: https://github.com/tmancal74/quantarhei
Author: Tomas Mancal
Author-email: mancal@karlov.mff.cuni.cz
License: MIT
Description-Content-Type: UNKNOWN
Description: QUANTArhei: Open Quantum System Theory for Molecular Systems
        ============================================================
        
        Quantarhei is a Molecular Open Quantum Systems Simulator written predominantly
        in Python. Its name is derived from the famous aphorism "Panta rhei" of the
        Greek philosopher Heraclitus of Ephesus. "Panta rhei" means "Everything flows"
        or "Everything is in flux" which is quite fitting when you change Panta into
        Quanta.
        
        In "Quantarhei" the last four letter ("rhei") should be written in Greek,
        i.e. (using LateX convention) "\\rho \\epsilon \\iota". 
        
        ----
        
        Quantarhei is in flux, but it already provides helper classes to define
        molecules, their aggregates and their interaction with external environment.
        It can calculate absorption spectra of individual molecules and their
        aggregates and excitation energy transfer dynamics using various types
        of Redfield and Foerster theories.
        
        Quantarhei provides Python code (optimized with Numpy) for all its implemented
        methods and theories, and allows extensions and replacements of the reference
        Python code with optimised routines written in C, Fortran or other lower level
        languages.
        
        In the first development stage, we concentrate on bringing to you tools
        to quickly build essential components of a quantum mechanical simulation,
        such as Hamiltonian, relaxation tensors, various initial
        conditions for density matrix etc.
        
        Quantarhei is at its experimental stage. 
        Current version is 0.0.27
        
        Quantarhei is available in source form on GitHub and from PyPI for installation
        with the pip command.
        
        
        Acknowledgements
        ================
        
        The work on Quantarhei is supported by
        
        |NFN|_
        
        .. |NFN| replace:: **Neuron Fund for Support of Science**
        .. _NFN: http://www.nfneuron.cz
        
        through the Impuls grant in physics 2014 (2015-2017)
        
        and
        
        |GACR|_
        
        .. |GACR| replace:: **Czech Science Foundation (GACR)**
        .. _GACR: http://www.gacr.cz
                                                       
        
        through grants: 14-25752S (2014-2016) and 17-22160S (2017- )
        
        
        
        
Keywords: physics,chemistry,quantum mechanics,open quantum systems
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Education
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.3
Classifier: Programming Language :: Python :: 3.4
Classifier: Programming Language :: Python :: 3.5
