Updated 2023-03-05 16:18:41 +01:00
Updated 2020-09-22 17:05:49 +02:00
Python ilbrary to parse output files of Gaussian, Gamess and Molpro
Updated 2022-09-28 16:35:52 +02:00
Updated 2021-05-13 14:19:44 +02:00
Web application to explore the QUEST database.
Updated 2022-05-27 14:00:37 +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
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
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 2024-05-02 16:22:43 +02:00
Updated 2024-04-22 15:59:02 +02:00
QuAcK is a small quantum chemistry package written in Fortran. It is mostly used for easy prototyping.
Updated 2024-04-22 15:59:02 +02:00
Updated 2022-05-25 19:49:29 +02:00
Quantum Package : a programming environment for wave function methods
Updated 2024-05-02 16:22:43 +02:00
Updated 2021-06-14 20:30:51 +02:00
Updated 2024-04-10 16:44:49 +02:00
Updated 2022-10-12 16:25:50 +02:00
Updated 2021-01-13 18:01:05 +01:00