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fix: no STRU_ION_1 file output #4506

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merged 4 commits into from
Jun 29, 2024
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@hongriTianqi hongriTianqi commented Jun 27, 2024

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Fix #4435

108_PW_RE_NEW/STRU_ION1_D.ref
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@mohanchen mohanchen added the Input&Output Suitable for coders without knowing too many DFT details label Jun 29, 2024
@mohanchen mohanchen merged commit f4a5ca2 into deepmodeling:develop Jun 29, 2024
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NO STRU_ION_1 file output when i use out_stru 1 in cell-relax or relax calculation
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