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