Laboratoire de Chimie et Physique Quantiques

qmcchem

Fortran 1 1

Quantum Monte Carlo program

irpf90 qmc

Updated 2022-03-06 15:16:02 +01:00

qp2

Fortran 1 0

Quantum Package : a programming environment for wave function methods

irpf90 ocaml post-hf cipsi post-hartr

Updated 2024-10-15 18:32:01 +02:00

QCaml

Jupyter Notebook 1 0

Quantum chemistry written with OCaml

post-hf ocaml

Updated 2024-09-13 18:22:45 +02:00

irpf90

Python 0 0

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.

irpf90 fortran

Updated 2024-04-22 11:02:59 +02:00

EZFIO

Python 0 0

Easy Fortran I/O library generator

irpf90 ocaml fortran python

Updated 2023-10-05 15:04:14 +02:00

Cost_package

1 0

Cost_package backup

Updated 2023-04-25 07:51:10 +02:00

resultsFile

Python 0 0

Python ilbrary to parse output files of Gaussian, Gamess and Molpro

python

Updated 2022-09-28 16:35:52 +02:00

spip2md

Python 0 0

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

EMSL_Basis_Set_Exchange_Local

Python 0 0

Updated 2018-07-27 15:14:58 +02:00

DEHam

C 0 0

Updated 2020-03-17 17:48:41 +01:00

quantum_package

Fortran 0 0

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

eplf

Fortran 0 0

Computes the Electron Pair Localization Function

Updated 2020-06-03 23:37:35 +02:00

quack

Fortran 1 0

Updated 2024-10-14 20:14:51 +02:00

Crystal-MET

Python 0 0

Updated 2022-03-03 17:12:42 +01:00

dft_tools

Python 0 0

Updated 2024-09-19 16:10:20 +02:00