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Quantum Package : a programming environment for wave function methods
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Open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determinant-driven selected CI methods and multi-reference PT2.
Updated 2024-06-13 18:03:31 +02:00
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Miroir du script de test face aux failles CPU.
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QuAcK is a small quantum chemistry package written in Fortran. It is mostly used for easy prototyping.
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Fortran90 preprocessor for programming using the Implicit Reference to Parameters (IRP) method. It simplifies the development of large fortran codes in the field of scientific high performance computing.
Updated 2024-04-22 11:02:59 +02:00
Repository related to the organization of the ERC PTEROSOR mid-term workshop Organisers: Amandine Laurent Yann Damour Fabris Kossoski Pierre-Francois Loos
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Apptainer recipes
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Plugins for QP2
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Quantum chemistry written with OCaml
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The repository is a git template for a new project
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Easy Fortran I/O library generator
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Scripts to export the SPIP MySQL database of the current website to plain text Markdown files with YAML front-matter metadata.
Updated 2023-06-23 16:47:27 +02:00