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Old version (4.1.x) with new output QE interface #5

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merged 1 commit into from
May 10, 2024

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@unkcpz unkcpz commented May 10, 2024

With this change, the generation process will skip the negative charge density checking which is the new feature of the new version from 4.2.0 but still can have the label of the pseudo wavefunction write to the UPF output.

@unkcpz unkcpz merged commit e7ede40 into support/atompaw-4.1.x May 10, 2024
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@unkcpz unkcpz deleted the old-atompaw-with-new-qe-interface branch May 10, 2024 14:48
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