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Replace QE-TEM with python/LAMMPS depedency #624

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RandomDefaultUser opened this issue Dec 6, 2024 · 0 comments
Open

Replace QE-TEM with python/LAMMPS depedency #624

RandomDefaultUser opened this issue Dec 6, 2024 · 0 comments
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important install
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v2.0.0 - MALA is ...

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We should replace the need for a Quantum ESPRESSO dependency with either a python (e.g., GPAW) or LAMMPS (using FFTs from LAMMPS) dependency. The first one is to be preferred,
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v2.0.0 - MALA is dead, long live MALA
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