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@Cstandardlib Cstandardlib commented Oct 18, 2024

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Fix #5203

  • Removed DiagH from all related code.
  • Most diagh.h in lcao are replaced by macros.h for Real type, hamilt.h for Hamilt & psi. Also in pw, some utilities like timer and title functions in module_base.
  • Note that psi is included in hamilt.

@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Oct 22, 2024
@Cstandardlib Cstandardlib marked this pull request as ready for review October 22, 2024 13:18
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Should diag.h be totally removed from source code?

@haozhihan
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Should diag.h be totally removed from source code?

I think this should be done, since diagH has no effect anymore. @Cstandardlib

@mohanchen mohanchen merged commit 5a6f494 into deepmodeling:develop Oct 23, 2024
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Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
* Remove diagh Pointer in lcao solver tests

* Remove const_nums in diagh.h

* Remove diago_david dependency on diagh.h

* Remove diago_dav_subspace dependency on diagh.h

* Remove diago_cg dependency on diagh.h

* Remove diago_bpcg dependency on diagh.h

* Remove diago_lapack&scalapack dependency on diagh.h

* Remove diago_lapack dependency on diagh.h

* Add hamilt.h to diago_lapack

* Remove diago_elpa dependency on diagh.h

* Remove diago_cusolver dependency on diagh.h

* Remove diago_pexsi dependency on diagh.h

* Remove diago_cusolvermp&elpa_native dependency on diagh.h

* Remove hsolver_lcaopw dependency on diagh.h

* Remove hsolver dependency on diagh.h

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Co-authored-by: Haozhi Han <[email protected]>
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Is it Necessary to Retain the DiagH Base Class in HSolver_pw?

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