cyllab/ccinput: v1.5.2 ...

Commits b116647: Improved/fixed functional data (Raphaël Robidas) 99b4ca3: Replaced explicit custom basis sets with builtin basis sets in ORCA when available (Raphaël Robidas) e774b95: Fixed formatting issue with C auxiliary basis sets and solvation in ORCA (Raphaël Robidas) 9f1c8e0: Updated the REA...

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Bibliographic Details
Main Authors: Robidas, Raphaël, Lint Action
Format: Software
Language:unknown
Published: Zenodo 2022
Subjects:
Orca
Online Access:https://dx.doi.org/10.5281/zenodo.7090943
https://zenodo.org/record/7090943
id ftdatacite:10.5281/zenodo.7090943
record_format openpolar
spelling ftdatacite:10.5281/zenodo.7090943 2023-12-03T10:28:36+01:00 cyllab/ccinput: v1.5.2 ... Robidas, Raphaël Lint Action 2022 https://dx.doi.org/10.5281/zenodo.7090943 https://zenodo.org/record/7090943 unknown Zenodo https://github.com/cyllab/ccinput/tree/v1.5.2 https://github.com/cyllab/ccinput/tree/v1.5.2 https://dx.doi.org/10.5281/zenodo.5907043 Open Access info:eu-repo/semantics/openAccess SoftwareSourceCode article Software 2022 ftdatacite https://doi.org/10.5281/zenodo.709094310.5281/zenodo.5907043 2023-11-03T10:38:06Z Commits b116647: Improved/fixed functional data (Raphaël Robidas) 99b4ca3: Replaced explicit custom basis sets with builtin basis sets in ORCA when available (Raphaël Robidas) e774b95: Fixed formatting issue with C auxiliary basis sets and solvation in ORCA (Raphaël Robidas) 9f1c8e0: Updated the README and the documentation (Raphaël Robidas) ... Software Orca DataCite Metadata Store (German National Library of Science and Technology)
institution Open Polar
collection DataCite Metadata Store (German National Library of Science and Technology)
op_collection_id ftdatacite
language unknown
description Commits b116647: Improved/fixed functional data (Raphaël Robidas) 99b4ca3: Replaced explicit custom basis sets with builtin basis sets in ORCA when available (Raphaël Robidas) e774b95: Fixed formatting issue with C auxiliary basis sets and solvation in ORCA (Raphaël Robidas) 9f1c8e0: Updated the README and the documentation (Raphaël Robidas) ...
format Software
author Robidas, Raphaël
Lint Action
spellingShingle Robidas, Raphaël
Lint Action
cyllab/ccinput: v1.5.2 ...
author_facet Robidas, Raphaël
Lint Action
author_sort Robidas, Raphaël
title cyllab/ccinput: v1.5.2 ...
title_short cyllab/ccinput: v1.5.2 ...
title_full cyllab/ccinput: v1.5.2 ...
title_fullStr cyllab/ccinput: v1.5.2 ...
title_full_unstemmed cyllab/ccinput: v1.5.2 ...
title_sort cyllab/ccinput: v1.5.2 ...
publisher Zenodo
publishDate 2022
url https://dx.doi.org/10.5281/zenodo.7090943
https://zenodo.org/record/7090943
genre Orca
genre_facet Orca
op_relation https://github.com/cyllab/ccinput/tree/v1.5.2
https://github.com/cyllab/ccinput/tree/v1.5.2
https://dx.doi.org/10.5281/zenodo.5907043
op_rights Open Access
info:eu-repo/semantics/openAccess
op_doi https://doi.org/10.5281/zenodo.709094310.5281/zenodo.5907043
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