A code for the calculation of Madelung constants
Updated 2021-03-12 22:27:06 +01:00
Codes for the calculation of the ground-state energies (classical energy and harmonic corrections) of Wigner crystals in 1D, 2D, and 3D using Clifford boundary conditions with a renormalized distance.
Updated 2021-03-11 12:28:06 +01:00
Updated 2019-06-03 15:16:53 +02:00
Miroir du script de test face aux failles CPU.
Updated 2024-08-04 15:15:45 +02:00
Updated 2021-06-16 19:14:25 +02:00
Cost_package backup
Updated 2023-04-25 07:51:10 +02:00
Updated 2022-03-03 17:12:42 +01:00
Updated 2020-03-17 17:48:41 +01:00
Updated 2024-09-16 14:29:58 +02:00
Updated 2018-07-27 15:14:58 +02:00
Computes the Electron Pair Localization Function
Updated 2020-06-03 23:37:35 +02:00
Easy Fortran I/O library generator
Updated 2023-10-05 15:04:14 +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
Quantum chemistry written with OCaml
Updated 2024-09-13 18:22:45 +02:00
Quantum Monte Carlo program
Updated 2022-03-06 15:16:02 +01:00
Quantum Package : a programming environment for wave function methods
Updated 2024-09-13 13:37:47 +02:00
Updated 2024-09-16 16:00:04 +02:00
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
Python ilbrary to parse output files of Gaussian, Gamess and Molpro
Updated 2022-09-28 16:35:52 +02:00
Scripts to export the SPIP MySQL database of the current website to plain text Markdown files with YAML front-matter metadata.
Updated 2023-06-23 16:47:27 +02:00