Metadata-Version: 2.1
Name: adcc
Version: 0.13.2
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)
        [![Documentation](https://img.shields.io/badge/doc-latest-blue.svg)](https://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 even
        statically computed data can be easily achieved as well.
        For more details and installation instructions
        [see the `adcc` documentation](https://adc-connect.org).
        
        ## Citation
        [![](https://img.shields.io/badge/hal-preprint-red)](https://hal.archives-ouvertes.fr/hal-02319517)
        
        A preprint of our paper describing `adcc` 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)](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](LICENSE_adccore).
        
Keywords: ADC,algebraic-diagrammatic,construction,excited,states,electronic,structure,computational,chemistry,quantum,spectroscopy
Platform: Linux
Platform: Mac OS-X
Classifier: Development Status :: 4 - Beta
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: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: POSIX :: Linux
Requires-Python: >=3.6
Description-Content-Type: text/markdown
Provides-Extra: build_docs
