Feature: use new format of CSR file for out_mat_hs2 and out_mat_ds, out_mat_t, out_mat_r, out_mat_xc2#6991

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dyzheng wants to merge 27 commits intodeepmodeling:developfrom

dyzheng:out_mat_hs2_refactor

Commits on Mar 16, 2026

Feature: use new format of CSR file for out_mat_hs2
dyzheng
committed
feature: modify out_mat_ds, out_mat_t, out_mat_r, out_mat_xc2 for new CSR format
dyzheng
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fix: UT of input
dyzheng
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Fix: input parameter yaml has been updated
dyzheng
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Refactor: add Per-spin HContainer wrappers for nspin=2
dyzheng
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fix: enable HR comparison in tests and update CSR reference files

dyzheng
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claude
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fix: use C++11 compatible unique_ptr::reset instead of std::make_unique

dyzheng
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claude
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fix: update md_out_syns reference files for CSR format changes

dyzheng
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claude
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update the reference of md_out_syns with gnu compiler
dyzheng
committed

Commits on Mar 17, 2026

Commits on Mar 30, 2026

add unit tests for Output_HContainer consistency and init_chg=hr error handling

dyzheng
and
claude
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fix: write empty R-blocks in CSR output to keep nR consistent

dyzheng
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claude
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Test: set two Si test cases to H2O cases
dyzheng
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Merge develop into out_mat_hs2_refactor

dyzheng
and
claude
committed

Commits on Mar 31, 2026