IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files

Toon Verstraelen, William Adams, Leila Pujal, Alireza Tehrani, Braden D. Kelly, Luis Macaya, Fanwang Meng, Michael Richer, Raymundo Hernández-Esparza, Xiaotian Derrick Yang, Matthew Chan, Taewon David Kim, Maarten Cools-Ceuppens, Valerii Chuiko, Esteban Vöhringer-Martinez, Paul W. Ayers, Farnaz Heidar-Zadeh. IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files. Journal of Computational Chemistry, 42(6):458-464, 2021. [doi]

Authors

Toon Verstraelen

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William Adams

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Leila Pujal

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Alireza Tehrani

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Braden D. Kelly

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Luis Macaya

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Fanwang Meng

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Michael Richer

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Raymundo Hernández-Esparza

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Xiaotian Derrick Yang

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Matthew Chan

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Taewon David Kim

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Maarten Cools-Ceuppens

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Valerii Chuiko

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Esteban Vöhringer-Martinez

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Paul W. Ayers

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Farnaz Heidar-Zadeh

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