lcpq Goto Github PK

cost_package

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

deham

Double Exchange Hamiltonian Complete Version

emsl_basis_set_exchange_local

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

ezfio

The Easy Fortran I/O library generator

gdr_nbody_2021

2021 Meeting of the GDR NBODY

gen_eq_tdcc

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.

msqm

Website of the Workshop on Model Systems in Quantum Mechanics

ocamlmpi

OCaml/MPI interface

pterosor

ERC PTEROSOR website

pterosor_endofterm_workshop

Website of the final workshop related to the PTEROSOR project

qcmath

Mathematica modules for electronic structure calculations

qmckl

Quantum Monte Carlo Kernel Library

quantum_package

Set of quantum chemistry programs and libraries

questdb_website

Web application to explore the QUEST database

resultsfile

Python interface to read output files of quantum chemistry programs

simplewick

spip2md

SPIP to markdown

template_hugo_workshop

Template for workshop web pages with Hugo

trexio

TREX I/O library

yrm2024

YRM Conference 2024