Updated 2023-06-08 10:05:40 +02:00
Quantum Package : a programming environment for wave function methods
Updated 2024-04-25 20:24:40 +02:00
FS coupled cluster
Updated 2022-04-15 15:28:39 +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 2019-11-29 12:00:19 +01:00
Updated 2022-05-25 19:49:29 +02:00
Quantum chemistry written with OCaml
Updated 2024-02-28 11:17:20 +01:00
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
Easy Fortran I/O library generator
Updated 2023-10-05 15:04:14 +02:00
Cost_package backup
Updated 2023-04-25 07:51:10 +02:00
Updated 2022-06-23 14:25:30 +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
Updated 2021-04-20 08:18:08 +02:00
Updated 2023-03-05 16:18:21 +01:00
Updated 2021-04-20 08:16:33 +02:00
Miroir du script de test face aux failles CPU.
Updated 2024-02-15 17:27:12 +01:00
Plugins for QP2
Updated 2024-03-05 15:36:55 +01:00
Python ilbrary to parse output files of Gaussian, Gamess and Molpro
Updated 2022-09-28 16:35:52 +02:00
Updated 2023-03-05 16:16:45 +01:00
Updated 2016-05-06 00:12:30 +02:00