Skip to content

@TREX-CoE TREX Center of Excellence

Change the repository type filter

All

    Repositories list

    55 repositories

    • trexio

      Public
      TREX I/O library
      libraryquantum-chemistrywave-function
      C
      •
      BSD 3-Clause "New" or "Revised" License
      •21•58•8•6•Updated Aug 21, 2025Aug 21, 2025

    • trexio-hs

      Public
      Haskell bindings to TREXIO library for portable wave functions
      storagequantum-mechanicshaskell-librarybindingsinteroperabilityquantum-chemistry
      Haskell
      •
      BSD 3-Clause "New" or "Revised" License
      •0•2•0•0•Updated Aug 4, 2025Aug 4, 2025

    • trexio_tools

      Public
      Set of tools for trexio files
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •9•19•2•1•Updated Jul 31, 2025Jul 31, 2025

    • qmcchem2

      Public
      QMC=Chem version 2
      quantum-mechanicscomputational-chemistryquantum-monte-carlo
      Fortran
      •
      GNU General Public License v3.0
      •7•19•1•0•Updated Jul 11, 2025Jul 11, 2025

    • qmc-lttc-2023

      Public
      LTTC Winter school 2023
      qmc
      Fortran
      •
      Other
      •2•1•0•0•Updated Jun 20, 2025Jun 20, 2025

    • trexio_s3

      Public
      Simplified functions for S3 trexio using rust AWS-SDK
      Rust
      •
      BSD 3-Clause "New" or "Revised" License
      •1•0•0•0•Updated Jun 4, 2025Jun 4, 2025

    • qmckl

      Public
      Quantum Monte Carlo Kernel Library
      libraryquantum-monte-carlo
      C
      •
      BSD 3-Clause "New" or "Revised" License
      •15•37•0•1•Updated May 28, 2025May 28, 2025

    • mp2

      Public
      Prototype MP2 code
      C
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Feb 3, 2025Feb 3, 2025

    • school-slovakia-2022

      Public template
      Material for the TREX school
      qmc
      Shell
      •
      Mozilla Public License 2.0
      •2•2•0•0•Updated Jan 6, 2025Jan 6, 2025

    • qmckl_gpu

      Public
      Test repository for a dedicated QMCkl GPU library
      C
      •
      Other
      •4•4•0•2•Updated Jul 3, 2024Jul 3, 2024

    • trex-containers

      Public
      Library of scripts to build containers for TREX software
      Shell
      •
      GNU General Public License v3.0
      •3•1•0•1•Updated Jun 3, 2024Jun 3, 2024

    • aiida-qp2

      Public
      AiiDA plugin for Quantum Package 2.0
      aiidaworkflowsdata-provenance
      Python
      •
      MIT License
      •4•13•1•0•Updated May 29, 2024May 29, 2024

    • champ-user-manual

      Public
      User manual of the CHAMP code
      SCSS
      •
      MIT License
      •1•1•0•3•Updated May 22, 2024May 22, 2024

    • qmckl_dgemm

      Public
      Fast tiled matrix multiplications
      C
      •
      BSD 3-Clause "New" or "Revised" License
      •1•2•0•0•Updated Apr 22, 2024Apr 22, 2024

    • qmckl_bench

      Public
      C
      •
      GNU General Public License v3.0
      •2•3•0•0•Updated Feb 21, 2024Feb 21, 2024

    • symposium-qmc-hpc

      Public
      0•0•0•0•Updated Oct 9, 2023Oct 9, 2023

    • trexio-tutorials

      Public
      TREXIO tutorials in notebook format
      Shell
      •
      MIT License
      •2•5•0•1•Updated May 6, 2023May 6, 2023

    • school-ncc-2023

      Public
      Shell
      •
      Mozilla Public License 2.0
      •1•2•2•0•Updated May 5, 2023May 5, 2023

    • qp-tutorial

      Public
      Tutorial for Quantum Package
      Shell
      •
      Mozilla Public License 2.0
      •1•1•0•0•Updated Apr 19, 2023Apr 19, 2023

    • BFD-ECP

      Public
      BFD pseudopotentials and basis sets
      TeX
      •
      BSD 3-Clause "New" or "Revised" License
      •1•4•0•0•Updated Mar 10, 2023Mar 10, 2023

    • qp2

      Public
      Quantum Package : a programming environment for wave function methods
      Fortran
      •
      GNU Affero General Public License v3.0
      •38•0•0•0•Updated Feb 27, 2023Feb 27, 2023

    • GPUDocumentation

      Public
      Simple to share our documentatio for GPU
      Fortran
      •0•0•0•0•Updated Jan 27, 2023Jan 27, 2023

    • SMWB-report

      Public
      Sherman-Morrison-Woodbury report
      TeX
      •
      BSD 3-Clause "New" or "Revised" License
      •0•1•0•0•Updated Dec 15, 2022Dec 15, 2022

    • trex_D1.3

      Public
      Deliverable D1.3
      TeX
      •
      Creative Commons Zero v1.0 Universal
      •0•0•0•0•Updated Nov 24, 2022Nov 24, 2022

    • Calmip_VFC_mixed_prec_expl

      Public
      CalMiP Tutorial: Mixed-precision exploration on Cornell-Holland Ab-initio Materials Package
      TeX
      •0•0•0•0•Updated Nov 24, 2022Nov 24, 2022

    • CalmipTraining

      Public
      HTML
      •0•0•0•0•Updated Nov 23, 2022Nov 23, 2022

    • Sherman-Morrison

      Public
      Sherman-Morrison-based matrix-inversion algorithms based on the work of P. Maponi, doi:10.1016/j.laa.2006.07.007
      C
      •
      BSD 3-Clause "New" or "Revised" License
      •6•2•0•0•Updated Nov 8, 2022Nov 8, 2022

    • NvHPCSDK_OpenMPOL_docs_exmpls

      Public
      Collection of tutorials and examples on OpenMP offloading of data and computations on Nvidia GPUs using the Nvidia HPC SDK
      C
      •
      GNU General Public License v3.0
      •0•4•0•0•Updated Oct 4, 2022Oct 4, 2022

    • BatchExchange

      Public
      C++
      •
      MIT License
      •0•0•0•0•Updated Sep 14, 2022Sep 14, 2022

    • BatchSystem

      Public
      C++
      •
      MIT License
      •0•0•1•0•Updated Sep 14, 2022Sep 14, 2022