QMCPACK

QMCPACK's repositories

qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

Language:C++NOASSERTION364 33 1520

qmc_workshop_2021

Files for QMC Workshop 2021

Language:Python57 220

miniqmc

QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experiments

Language:C++NOASSERTION27 20 66

qmc_summer_school_2025

QMC and QMCPACK Summer School 2025

Language:Python1600

pseudopotentiallibrary

Repository for PseudopotentialLibrary.org website and database

Language:PHP15 12 37

qmcpack_workshop_2019

QMCPACK Users Workshop 2019

Language:Python13 18 1

qmcpack_workshop_2023

QMCPACK Users Workshop 2023

Language:Python9 180

stalk

Language:PythonBSD-3-Clause6 50

qmc_algorithms

Scripts and supporting material to validate QMC codes

Language:Jupyter NotebookMIT5 40

scfrecipes

Challenging inputs and recipes for self-consistent field codes

Language:Roff4 17 5

pw2qmcpack

pw2qmcpack converter

Language:Fortran3 6 1

nexus_training

Collection of training material for Nexus development and use

Language:Python2 6 1

miniAFQMC

A simplified auxiliary field QMC code for algorithm development, performance portability testing, and computer science experiments

Language:C++NOASSERTION1 9 8

cxx_prototype

For prototyping C++ use in QMCPACK

Language:C++0170

molden2qmc

molden to Casino input converter

Language:Python020

Pseudopotential-Status

working notes on pseudopotential development

Language:TeX050

random_base

test performance of random number generator virtual base class

Language:C++050