mirror of https://github.com/QMCPACK/qmcpack.git
493 B
493 B
This directory contains a limited number of examples of real-space QMC and AFQMC calculations.
A large number of additional examples are provided in qmcpack/nexus/examples. These include full workflows for molecular and solid-state calculations including trial wavefunction generation with Quantum ESPRESSO, GAMESS, PySCF, RMG DFT, and Quantum Package. Examples are also given for the use of all estimators. In many cases the workflows can be quickly adapted for research level calculations.