QMCPACK / pw2qmcpack

pw2qmcpack converter

Repository from Github https://github.comQMCPACK/pw2qmcpackRepository from Github https://github.comQMCPACK/pw2qmcpack

pw2qmcpack

pw2qmcpack converts the DFT orbitals calculated by Quantum ESPRESSO into a QMCPACK readable format.

Users should not build the source code of this repository directly but build QE via CMake with the option -DQE_ENABLE_PLUGINS=pw2qmcpack added. We don't support enabling pw2qmcpack in QE configure script.

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pw2qmcpack converter


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