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refactor: output sparse DMR by Output_HContainer instead of output_dm1.h/cpp #4374

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merged 11 commits into from
Jun 18, 2024

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@pxlxingliang pxlxingliang commented Jun 13, 2024

  • output sparse DMR by Output_HContainer instead of output_dm1.h/cpp, and is not related to LOC now.
  • remove the useless output_dm1.h/cpp and write_dm_sparse.h/cpp
  • remove the useless unitcell in Output_HContainer

The output of DMR in npz format is not changed in this PR, and I will push a new commit after this PR.

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Fix #4368

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@mohanchen mohanchen added the Refactor Refactor ABACUS codes label Jun 17, 2024
source/module_io/write_dmr.cpp Outdated Show resolved Hide resolved
source/module_io/write_dmr.cpp Outdated Show resolved Hide resolved
@mohanchen mohanchen merged commit 1e720b7 into deepmodeling:develop Jun 18, 2024
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@pxlxingliang pxlxingliang deleted the dmr branch June 27, 2024 05:14
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Feature out_dm should be deleted, and rename out_dm1 to out_dm. Also feature of init_dm is needed.
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