TREX Center of Excellence

trexio

TREX I/O library

qmckl

Quantum Monte Carlo Kernel Library

qmcchem2

QMC=Chem version 2

trexio_tools

Set of tools for trexio files

BFD-ECP

BFD pseudopotentials and basis sets

qmckl_bench

qmckl_gpu

Test repository for a dedicated QMCkl GPU library

trexio-tutorials

TREXIO tutorials in notebook format

NvHPCSDK_OpenMPOL_docs_exmpls

Collection of tutorials and examples on OpenMP offloading of data and computations on Nvidia GPUs using the Nvidia HPC SDK

qmckl_dgemm

Fast tiled matrix multiplications

school-ncc-2023

school-slovakia-2022

Material for the TREX school

Sherman-Morrison

Sherman-Morrison-based matrix-inversion algorithms based on the work of P. Maponi, doi:10.1016/j.laa.2006.07.007

champ-user-manual

User manual of the CHAMP code

qmc-lttc-2023

LTTC Winter school 2023

qp-tutorial

Tutorial for Quantum Package

SMWB-report

Sherman-Morrison-Woodbury report

CalmipTraining

BatchExchange

BatchSystem

Calmip_VFC_mixed_prec_expl

CalMiP Tutorial: Mixed-precision exploration on Cornell-Holland Ab-initio Materials Package

dftlibs-qmckl-demo

Jupyter notebooks demonstrating the use of open-source libraries for DFT calculations.

GPUDocumentation

Simple to share our documentatio for GPU

mp2

Prototype MP2 code

qp2

Quantum Package : a programming environment for wave function methods

spack

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

symposium-qmc-hpc

trex-containers

Library of scripts to build containers for TREX software

trex_D1.3

Deliverable D1.3

trexio_ocaml

Ocaml binding for TREXIO