Laboratoire de Chimie et Physique Quantiques
Toulouse, France
http://www.lcpq.ups-tlse.fr
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qp2
Fortran 1 0

Quantum Package : a programming environment for wave function methods

irpf90
ocaml
post-hf
cipsi
post-hartr

Updated 4 days ago

EZFIO
Python 0 0

Easy Fortran I/O library generator

irpf90
ocaml
fortran
python

Updated 1 week ago

dft_tools
Python 0 0

Updated 2 weeks ago

quack
Fortran 1 0

Updated 3 weeks ago

QCaml
Jupyter Notebook 1 0

Quantum chemistry written with OCaml

post-hf
ocaml

Updated 3 months ago

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 3 months ago

Cost_package
1 0

Cost_package backup

Updated 5 months ago

lcpq-codes
Markdown 1 0

Source code running LCPQ code subsite

Updated 7 months ago

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 10 months ago

resultsFile
Python 0 0

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

python

Updated 1 year ago

qmcchem
Fortran 1 1

Quantum Monte Carlo program

irpf90
qmc

Updated 2 years ago

Crystal-MET
Python 0 0

Updated 2 years ago

eplf
Fortran 0 0

Computes the Electron Pair Localization Function

Updated 3 years ago

DEHam
C 0 0

Updated 4 years ago

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 4 years ago

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