Laboratoire de Chimie et Physique Quantiques (LCPQ)

Laboratoire de Chimie et Physique Quantiques

LCPQ

Geek Repo

Location:Toulouse

Home Page:http://www.lcpq.ups-tlse.fr

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Laboratoire de Chimie et Physique Quantiques's repositories

quantum_package

Set of quantum chemistry programs and libraries

Language:FortranLicense:GPL-2.0Stargazers:44Issues:19Issues:94

qcmath

Mathematica modules for electronic structure calculations

Language:MathematicaLicense:GPL-3.0Stargazers:19Issues:4Issues:0

QUESTDB_website

Web application to explore the QUEST database

Language:JavaScriptLicense:BSD-3-ClauseStargazers:7Issues:3Issues:0

Cost_package

MRCI (MR-SDCI, DDCI), localization or optimization of orbitals

EMSL_Basis_Set_Exchange_Local

Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.

Language:PythonLicense:MITStargazers:2Issues:3Issues:0

EZFIO

The Easy Fortran I/O library generator

Language:PythonLicense:GPL-2.0Stargazers:2Issues:3Issues:0

PTEROSOR

ERC PTEROSOR website

yrm2024

YRM Conference 2024

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DEHam

Double Exchange Hamiltonian Complete Version

Language:CLicense:GPL-2.0Stargazers:1Issues:3Issues:0

gdr_nbody_2021

2021 Meeting of the GDR NBODY

Language:HTMLStargazers:1Issues:2Issues:0

spip2md

SPIP to markdown

Language:PythonLicense:NOASSERTIONStargazers:1Issues:3Issues:0

irpf90

IRPF90 is a Fortran90 preprocessor written in Python 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.

Language:PythonLicense:GPL-2.0Stargazers:0Issues:3Issues:0

ocamlmpi

OCaml/MPI interface

Language:OCamlLicense:NOASSERTIONStargazers:0Issues:3Issues:0

resultsFile

Python interface to read output files of quantum chemistry programs

Language:PythonLicense:GPL-2.0Stargazers:0Issues:3Issues:0

template_hugo_workshop

Template for workshop web pages with Hugo

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MSQM

Website of the Workshop on Model Systems in Quantum Mechanics

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qmckl

Quantum Monte Carlo Kernel Library

Language:CLicense:BSD-3-ClauseStargazers:0Issues:0Issues:0
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trexio

TREX I/O library

Language:CLicense:BSD-3-ClauseStargazers:0Issues:0Issues:0