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 2024-10-21 18:18:00 +02:00
Miroir du script de test face aux failles CPU.
Updated 2024-08-04 15:15:45 +02:00
Updated 2024-06-01 15:19:03 +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
The repository is a git template for a new project
Updated 2024-02-23 22:29:28 +01:00