Updated 2024-07-17 18:47:53 +02:00
Quantum Package : a programming environment for wave function methods
Updated 2024-07-16 17:44:58 +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 2024-07-16 17:44:58 +02:00
Updated 2024-07-11 13:59:29 +02:00
Updated 2024-07-11 09:51:44 +02:00
QuAcK is a small quantum chemistry package written in Fortran. It is mostly used for easy prototyping.
Updated 2024-07-11 09:51:44 +02:00
Updated 2024-06-28 21:58:00 +02:00
Updated 2024-06-25 12:35:32 +02:00
Quantum chemistry written with OCaml
Updated 2024-06-24 17:44:42 +02:00
Lectures for ISTPC
Updated 2024-06-20 17:32:11 +02:00
Updated 2024-06-01 15:19:03 +02:00
Miroir du script de test face aux failles CPU.
Updated 2024-05-18 13:01:48 +02:00
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
Updated 2024-04-17 20:23:17 +02:00
Updated 2024-04-17 18:13:43 +02:00
Apptainer recipes
Updated 2024-04-11 17:12:59 +02:00
Plugins for QP2
Updated 2024-03-05 15:36:55 +01:00
The repository is a git template for a new project
Updated 2024-02-23 22:29:28 +01:00
Updated 2023-10-20 13:28:43 +02:00
Easy Fortran I/O library generator
Updated 2023-10-05 15:04:14 +02:00