VAMPyR: Very Accurate Multiresolution Python Routines

Very Accurate Multiresolution Python Routines (VAMPyR) package. VAMPyR contains Python bindings to the MRCPP library, generated through pybind11. VAMPyR is developed at the Hylleraas Centre for Quantum Molecular Sciences at UiT - The Arctic University of Norway. The project was initiated by Magnar B...

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Bibliographic Details
Main Authors: Battistella, Evelin, Bjorgve, Magnar, Di Remigio, Roberto, Gerez, Gabriel, Jensen, Stig Rune
Format: Article in Journal/Newspaper
Language:unknown
Published: Zenodo 2021
Subjects:
Online Access:https://dx.doi.org/10.5281/zenodo.4117602
https://zenodo.org/record/4117602
Description
Summary:Very Accurate Multiresolution Python Routines (VAMPyR) package. VAMPyR contains Python bindings to the MRCPP library, generated through pybind11. VAMPyR is developed at the Hylleraas Centre for Quantum Molecular Sciences at UiT - The Arctic University of Norway. The project was initiated by Magnar Bjørgve (@bjorgve), with contributions from Evelin Battistella (@evelinbatt), Roberto Di Remigio (@robertodr), Gabriel Gerez (@Gabrielgerez) and Stig Rune Jensen (@stigrj)