NERSC/MiniDFT

MiniDFT is a minimalist version of Quantum ESPRESSO that performs only LDA total energy and gradient calculations. The purpose of miniDFT is to explore new parallelization schemes, programming languages, programming models and computer architectures, and evaluate their suitability for plane-wave DFT calculations. These types of experiments will be more easily done with MiniDFT than with QE, because the current version of MiniDFT is significantly smaller than QE.

语言：Fortran · GitHub 星标：9 · Fork：2

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