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 2024-05-07 21:07:33 +02:00
This repository is version 1 of QP. This version is not supported any more.
Version 2 is available here : https://github.com/QuantumPackage/qp2
Updated 2019-06-28 00:16:47 +02:00
Review article for WIREs on the QUEST database and Mika's website
Updated 2021-01-25 16:35:52 +01:00
Review article for WIREs on the QUEST database and Mika's website
Updated 2020-12-11 15:48:38 +01:00
Web application to explore the QUEST database.
Updated 2022-05-27 14:00:37 +02:00
Updated 2021-05-13 14:19:44 +02:00
Python ilbrary to parse output files of Gaussian, Gamess and Molpro
Updated 2022-09-28 16:35:52 +02:00
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Updated 2021-03-02 14:43:17 +01:00
Updated 2022-11-08 15:35:25 +01:00
Miroir du script de test face aux failles CPU.
Updated 2024-02-15 17:27:12 +01:00
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
Updated 2021-04-20 08:18:08 +02:00
Data and manuscript for Loos et al. J. Phys. Chem. Lett. 10, 2931 (2019).
Updated 2020-07-22 08:27:14 +02:00
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