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adcc

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adcc: Seamlessly connect your program to ADC

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Installation

To install this package, run one of the following:

Conda
$conda install psi4::adcc

Usage Tracking

0.15.9
0.15.6
0.15.0
3 / 8 versions selected
Downloads (Last 6 months): 0

Description

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.

About

Summary

adcc: Seamlessly connect your program to ADC

Last Updated

Aug 4, 2021 at 20:34

License

GPL-3.0

Total Downloads

12.1K

Supported Platforms

linux-64
macOS-64