PTEROSOR
QuAcK is a small quantum chemistry package written in Fortran. It is mostly used for easy prototyping.
Updated 2024-12-10 19:14:33 +01:00
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 2024-12-05 16:05:22 +01:00
Web application to explore the QUEST database.
Updated 2022-05-27 14:00:37 +02:00
This repository is a template for new projects
Updated 2021-11-05 09:58:07 +01:00
Documents related to the increasingly famous PTEROSOR group meetings
Updated 2021-04-09 17:44:13 +02:00
Updated 2021-03-02 14:44:13 +01:00
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Review article for WIREs on the QUEST database and Mika's website
Updated 2021-01-25 16:35:52 +01:00
Updated 2020-08-17 08:27:35 +02:00
This repository contains the data management plan of the PTEROSOR ERC project.
Updated 2020-08-03 15:48:24 +02:00