scemama

slaterlib

Slater-Condon's rules in a C library

f77_zmq

Fortran binding for ZeroMQ

ocaml-getopt-2

slater_stoch

Two-electron integrals in Slater basis sets

ocaml-getopt

OpamPack

Scripts to produce tar.gz files with all OCaml package dependencies inside

samo

Synchronous/Asynchronous Matrix Operations

flogger

gemmizer

Python script that performs GEMM on GPUs taking matrices from a zeromq socket

scemama.github.io

spack

A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

aiida-qp2

AiiDA plugin for Quantum Package 2.0

basis_set_exchange

A repository for quantum chemistry basis sets

GAMMCOR

gammcor code

hdf5-manylinux

Adding HDF5 to manylinux images for building Linux packages

ipie

ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.

lacaml

OCaml bindings for BLAS/LAPACK (high-performance linear algebra Fortran libraries)

matrixmultiply

General matrix multiplication of f32 and f64 matrices in Rust. Supports matrices with general strides.

opam-repository

Main public package repository for opam, the source package manager of OCaml.

qmckl

Quantum Monte Carlo Kernel Library

qp2

Quantum Package : a programming environment for wave function methods

qp2-singularity

Definition files to build Singularity containers with Quantum Package

qp2_container

qp_plugins_damour

qp_plugins_lct

Common repo of plugins developed at the LCT

quantum_package

Set of quantum chemistry programs and libraries

QuantumEnvelope

staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

trexio

TREX I/O library

verificarlo

A tool for debugging and assessing floating point precision and reproducibility.