Metadata-Version: 2.1
Name: adcc
Version: 0.14.0
Summary: adcc:  Seamlessly connect your host program to ADC
Home-page: https://adc-connect.org
Author: Michael F. Herbst, Maximilian Scheurer
Author-email: developers@adc-connect.org
License: GPL v3
Project-URL: Source, https://github.com/adc-connect/adcc
Project-URL: Issues, https://github.com/adc-connect/adcc/issues
Description: 
        # adcc: Seamlessly connect your program to ADC
        [![license](https://img.shields.io/badge/License-GPL%20v3-blue.svg)](https://github.com/adc-connect/adcc/blob/master/LICENSE)
        [![pypi](https://img.shields.io/pypi/v/adcc)](https://pypi.org/project/adcc)
        [![anaconda](https://anaconda.org/adcc/adcc/badges/version.svg)](https://anaconda.org/adcc/adcc)
        [![Documentation](https://img.shields.io/badge/doc-latest-blue.svg)](https://adc-connect.org)
        [![Binder](https://mybinder.org/badge_logo.svg)](https://try.adc-connect.org)
        [![Travis](https://travis-ci.org/adc-connect/adcc.svg?branch=master)](https://travis-ci.org/adc-connect/adcc)
        [![DOI](https://zenodo.org/badge/215731857.svg)](https://zenodo.org/badge/latestdoi/215731857)
        
        adcc (**ADC-connect**) is a python-based framework for performing
        the calculation of molecular spectra and electronically excited states
        based upon the algebraic-diagrammatic construction (ADC) approach.
        
        Arbitrary host programs may be used to supply a
        self-consistent field (SCF) reference to start off the ADC calculation.
        Currently adcc comes with ready-to-use interfaces to four programs,
        namely pyscf, psi4, VeloxChem or molsturm. Adding other SCF codes or
        starting a calculation from
        statically computed data can be easily achieved.
        
        Try adcc in your browser at https://try.adc-connect.org
        or take a look at the [adcc documentation](https://adc-connect.org)
        for more details and installation instructions.
        
        ## Citation
        
        **Paper:** | [![](https://img.shields.io/badge/DOI-10.1002/wcms.1462-blue)](https://doi.org/10.1002/wcms.1462)
        -----------| --------------------------------------------------------------------------------------------------------
        **Code:**  | [![DOI](https://zenodo.org/badge/215731857.svg)](https://zenodo.org/badge/latestdoi/215731857)
        
        If you use adcc, please cite
        [our paper in WIREs Computational Molecular Science](https://doi.org/10.1002/wcms.1462).
        A preprint can be found
        [on HAL](https://hal.archives-ouvertes.fr/hal-02319517)
        or [on arXiv](http://arxiv.org/pdf/1910.07757).
        
        ## Licence note
        The adcc source code contained in this repository is released
        under the [GNU General Public License v3 (GPLv3)](https://github.com/adc-connect/adcc/blob/master/LICENSE).
        This license does, however, not apply to the binary
        `adccore.so` file (on Linux) or `adccore.dylib` file (on macOS)
        distributed inside the folder `/adcc/lib/` of the `adcc` release tarball.
        For its licensing terms, see [LICENSE_adccore](https://github.com/adc-connect/adcc/blob/master/LICENSE_adccore).
        
Keywords: ADC,algebraic-diagrammatic,construction,excited,states,electronic,structure,computational,chemistry,quantum,spectroscopy
Platform: Linux
Platform: Mac OS-X
Classifier: Development Status :: 5 - Production/Stable
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: License :: Free For Educational Use
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Education
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: POSIX :: Linux
Requires-Python: >=3.6
Description-Content-Type: text/markdown
Provides-Extra: build_docs
