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‎AUTHORS‎

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Sandia National Laboratories:
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Oscar Diaz-Ibarra <[email protected]>
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Mike Schmidt <[email protected]>
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Cosmin Safta <[email protected]>
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University of illinois Urbana-Champaign:
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Samuel G. Frederick <[email protected]>
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Jeffrey H. Curtis <[email protected]>
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Zachary D'Aquino <[email protected]>
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Nicole Riemer <[email protected]>
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Matthew West <[email protected]>

‎CITATION.cff‎

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cff-version: 1.2.0
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message: "If you use this software, please cite it as below."
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message: "If you use this software, please cite it using the following metadata."
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title: "TChem-atm version 2.0.0"
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authors:
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- family-names: Safta
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given-names: Cosmin
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- family-names: Diaz-Ibarra
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given-names: Oscar H.
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- family-names: Schmidt
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given-names: Michael
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title: "TChem-atm"
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version: 1.0.0
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- family-names: "Diaz-Ibarra"
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given-names: "Oscar H."
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- family-names: "Frederick"
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given-names: "Samuel"
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- family-names: "Curtis"
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given-names: "Jeffrey"
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- family-names: "D'Aquino"
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given-names: "Zachary"
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- family-names: "Safta"
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given-names: "Cosmin"
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- family-names: "West"
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given-names: "Matthew"
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- family-names: "Riemer"
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given-names: "Nicole"
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version: "2.0.0"
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identifiers:
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- type: doi
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value: https://doi.org/10.11578/dc.20240925.6
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date-released: 2024-06-07
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value: https://doi.org/10.5281/zenodo.17058144
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date-released: 2025-09-01

‎CITATIONS.bib‎

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@software{diaz_ibarra_2025_17058144,
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author = {Diaz-Ibarra, Oscar H. and
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Frederick, Samuel and
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Curtis, Jeffrey and
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D'Aquino, Zachary and
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Safta, Cosmin and
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West, Matthew and
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Riemer, Nicole},
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title = {TChem-atm version 2.0.0},
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month = sep,
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year = 2025,
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publisher = {Zenodo},
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version = {2.0.0},
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doi = {10.5281/zenodo.17058144},
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url = {https://doi.org/10.5281/zenodo.17058144},
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swhid = {swh:1:dir:cc97f85bfd89e068e2d94e0bd1d934f99ef515bd
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;origin=https://doi.org/10.5281/zenodo.17058143;vi
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sit=swh:1:snp:6031c903d9a559e5372e46d9801d9b378d5c
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b12a;anchor=swh:1:rel:5d8e35ae9686eb9f2ef7b61a25f6
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44a3a9431fc8;path=/
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},
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}
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@misc{osti_2472634,
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title = {TChem-atm v1.0, Version 1.0},
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author = {Safta, Cosmin and Diaz-Ibarra, Oscar and Schmidt, Michael and USDOE},

‎LICENSE‎

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BSD 2-Clause License
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Copyright (c) 2024, Sandia National Laboratories
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Copyright (c) 2025, Sandia National Laboratories
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Redistribution and use in source and binary forms, with or without
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modification, are permitted provided that the following conditions are met:

‎README.md‎

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[![Latest version](https://img.shields.io/github/v/release/PCLAeroParams/TChem-atm.svg?sort=semver)](https://github.com/PCLAeroParams/TChem-atm/releases)
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[![Github Actions Status](https://github.com/PCLAeroParams/TChem-atm/actions/workflows/auto_test.yaml/badge.svg?branch=main)](https://github.com/PCLAeroParams/TChem-atm/actions)
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[![GitHub Pages](https://img.shields.io/badge/GitHub%20Pages-121013?logo=github&logoColor=white)](https://PCLAeroParams.github.io/TChem-atm/)
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[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.17058143.svg)](https://doi.org/10.5281/zenodo.17058143)
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[![License](https://img.shields.io/badge/License-BSD_2--Clause-green.svg)](https://github.com/PCLAeroParams/TChem-atm/blob/main/LICENSE)
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## Installation
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## Citations
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* [TChem-atm ](https://www.osti.gov/biblio/2472634)
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```bibtex
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@misc{osti_2472634,
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title = {TChem-atm v1.0, Version 1.0},
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```
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* ["Benchmarking TChem for Potential Incorporation into E3SM as a Replacement Chemical Kinetics Solver"](sand_report/QTI_tchemV1.pdf)
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```bibtex
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@techreport{Diaz-Ibarra:2024:tchem,
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author = {Diaz-Ibarra, Oscar and Schmidt, Michael J. and Safta, Cosmin },

‎src/core/TChem.hpp‎

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/* =====================================================================================
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TChem-atm version 1.0
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Copyright (2024) NTESS
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TChem-atm version 2.0.0
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Copyright (2025) NTESS
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https://github.com/sandialabs/TChem-atm
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Copyright 2024 National Technology & Engineering Solutions of Sandia, LLC (NTESS).
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Copyright 2025 National Technology & Engineering Solutions of Sandia, LLC (NTESS).
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Under the terms of Contract DE-NA0003525 with NTESS, the U.S. Government retains
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certain rights in this software.
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provided under the main directory
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Questions? Contact Oscar Diaz-Ibarra at <[email protected]>, or
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Mike Schmidt at <[email protected]>, or
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Cosmin Safta at <[email protected]>
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Cosmin Safta at <[email protected]> or,
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Nicole Riemer at <[email protected]> or,
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Matthew West at <[email protected]>
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Sandia National Laboratories, New Mexico/Livermore, NM/CA, USA
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===================================================================================== */

‎src/core/TChem_AerosolChemistry.cpp‎

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/* =====================================================================================
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TChem-atm version 1.0
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Copyright (2024) NTESS
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TChem-atm version 2.0.0
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Copyright (2025) NTESS
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https://github.com/sandialabs/TChem-atm
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Copyright 2024 National Technology & Engineering Solutions of Sandia, LLC
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Copyright 2025 National Technology & Engineering Solutions of Sandia, LLC
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(NTESS). Under the terms of Contract DE-NA0003525 with NTESS, the U.S.
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Government retains certain rights in this software.
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@@ -13,8 +13,9 @@ it and/or modify it under the terms of BSD 2-Clause License
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provided under the main directory
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Questions? Contact Oscar Diaz-Ibarra at <[email protected]>, or
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Mike Schmidt at <[email protected]>, or
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Cosmin Safta at <[email protected]>
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Cosmin Safta at <[email protected]> or,
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Nicole Riemer at <[email protected]> or,
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Matthew West at <[email protected]>
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Sandia National Laboratories, New Mexico/Livermore, NM/CA, USA
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=====================================================================================

‎src/core/TChem_AerosolChemistry.hpp‎

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/* =====================================================================================
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TChem-atm version 1.0
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Copyright (2024) NTESS
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TChem-atm version 2.0.0
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Copyright (2025) NTESS
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https://github.com/sandialabs/TChem-atm
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Copyright 2024 National Technology & Engineering Solutions of Sandia, LLC
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Copyright 2025 National Technology & Engineering Solutions of Sandia, LLC
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(NTESS). Under the terms of Contract DE-NA0003525 with NTESS, the U.S.
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Government retains certain rights in this software.
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@@ -13,8 +13,9 @@ it and/or modify it under the terms of BSD 2-Clause License
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provided under the main directory
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Questions? Contact Oscar Diaz-Ibarra at <[email protected]>, or
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Mike Schmidt at <[email protected]>, or
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Cosmin Safta at <[email protected]>
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Cosmin Safta at <[email protected]> or,
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Nicole Riemer at <[email protected]> or,
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Matthew West at <[email protected]>
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Sandia National Laboratories, New Mexico/Livermore, NM/CA, USA
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=====================================================================================

‎src/core/TChem_AerosolChemistry_CVODE.cpp‎

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/* =====================================================================================
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TChem-atm version 1.0
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Copyright (2024) NTESS
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TChem-atm version 2.0.0
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Copyright (2025) NTESS
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https://github.com/sandialabs/TChem-atm
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Copyright 2024 National Technology & Engineering Solutions of Sandia, LLC
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Copyright 2025 National Technology & Engineering Solutions of Sandia, LLC
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(NTESS). Under the terms of Contract DE-NA0003525 with NTESS, the U.S.
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Government retains certain rights in this software.
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@@ -13,8 +13,9 @@ it and/or modify it under the terms of BSD 2-Clause License
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provided under the main directory
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Questions? Contact Oscar Diaz-Ibarra at <[email protected]>, or
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Mike Schmidt at <[email protected]>, or
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Cosmin Safta at <[email protected]>
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Cosmin Safta at <[email protected]> or,
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Nicole Riemer at <[email protected]> or,
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Matthew West at <[email protected]>
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Sandia National Laboratories, New Mexico/Livermore, NM/CA, USA
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=====================================================================================

‎src/core/TChem_AerosolChemistry_CVODE.hpp‎

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/* =====================================================================================
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TChem-atm version 1.0
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Copyright (2024) NTESS
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TChem-atm version 2.0.0
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Copyright (2025) NTESS
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https://github.com/sandialabs/TChem-atm
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Copyright 2024 National Technology & Engineering Solutions of Sandia, LLC
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Copyright 2025 National Technology & Engineering Solutions of Sandia, LLC
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(NTESS). Under the terms of Contract DE-NA0003525 with NTESS, the U.S.
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Government retains certain rights in this software.
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@@ -13,8 +13,9 @@ it and/or modify it under the terms of BSD 2-Clause License
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provided under the main directory
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Questions? Contact Oscar Diaz-Ibarra at <[email protected]>, or
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Mike Schmidt at <[email protected]>, or
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Cosmin Safta at <[email protected]>
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Cosmin Safta at <[email protected]> or,
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Nicole Riemer at <[email protected]> or,
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Matthew West at <[email protected]>
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Sandia National Laboratories, New Mexico/Livermore, NM/CA, USA
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=====================================================================================

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