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lzlwell's repositories

Tools for pre- and post-processing purposes in ab initio calculations. For QE, VASP, BerkeleyGW, Wannier90 etc

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Use differential evolution method to search crystal structures

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Python library to compute different properties of tight binding models

Language:PythonGPL-3.0200

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Configuration files to configure/compile Abinit

Language:PythonGPL-2.0000

Matrix multiplication example performed with OpenMP, OpenACC, BLAS, cuBLABS, and CUDA

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Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format

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PseudoDojo PBE scalar-relativistic table version 0.4 without non linear core correction (NLCC).

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Phonon code

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Python framework for generating and validating pseudo potentials

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Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

GPL-2.0000

GPL-3.0000

Hybrid Quantum-Classical Machine Learning in TensorFlow

Apache-2.0000