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Feature: read rho in G space from binary file in qe format #3303

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merged 6 commits into from
Dec 6, 2023

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YuLiu98
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@YuLiu98 YuLiu98 commented Dec 5, 2023

What's changed?

  • Add a function that reading rho in G space grom a binary file charge-density.dat in the format as same as QE.
  • When init_chg is set to file, abacus will try to read charge-density.dat first. If it does not exist, abacus will read SPIN1_CHG.cube instead.

@Qianruipku Qianruipku merged commit 36bdd4f into deepmodeling:develop Dec 6, 2023
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@YuLiu98 YuLiu98 deleted the rhog branch December 6, 2023 02:48
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