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Commits on Jan 9, 2025

• Fix: dmin is replaced by dmax (deepmodeling#5829)

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Commits on Jan 5, 2025

• Refactor: refactor the constructors of Psi class (deepmodeling#5761)

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Commits on Dec 24, 2024

• Refactor: remove the Psi Constructors using int* ngk_in (deepmodeling#5745)

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Commits on Dec 16, 2024

• Feature: add smooth ethr for all iter methods (deepmodeling#5732)

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Commits on Dec 11, 2024

• Refactor: add smooth threshold support for cg method (deepmodeling#5713)

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Commits on Dec 10, 2024

• Refactor: add smooth threshold support for bpcg method (deepmodeling#5709)

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• Refactor: add smooth threshold support for david method (deepmodeling#5697)

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Commits on Dec 1, 2024

• format wf_atomic files (deepmodeling#5653)

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Commits on Nov 29, 2024

• Refactor: wavefunc.cpp (deepmodeling#5646)

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Commits on Nov 27, 2024

• Refactor: remove #include hsolver.h (deepmodeling#5609)

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Commits on Nov 26, 2024

• Refactor: move wf_atomic and wavefunc files (deepmodeling#5613)

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• Refactor: move psiinit file to hsolver folder (deepmodeling#5601)

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Commits on Nov 22, 2024

• Refactor: remove wf from esolver (deepmodeling#5567)

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• Refactor: remove init_wfc&mem_saver&out_wfc_pw&out_wfc_r of wavefunc in abacus (deepmodeling#5557)

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Commits on Nov 20, 2024

• Refactor: refactor psi init & wfinit class (deepmodeling#5533)

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Commits on Nov 19, 2024

• Refactor: refactor the relevant code for psi initializer (deepmodeling#5474)

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Commits on Oct 18, 2024

• Sorting out the calculation logic of pexsi in hsolver-lcao (deepmodeling#5299)

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Commits on Oct 17, 2024

• Refactor: refactor solve func in hsolver-lcao class (deepmodeling#5257)

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Commits on Sep 24, 2024

• Refactor: refactor hsolver-lcao func (deepmodeling#5148)

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Commits on Sep 18, 2024

• remove my_conj func from hsolver_lcao (deepmodeling#5128)

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• Refactor: refactor paw code in HSolverLIP (deepmodeling#5126)

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Commits on Sep 14, 2024

• Refactor: remove hsolver base class from module_hsolver (deepmodeling#5093)

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• Refactor: refactor HsolverPW & HsolverPW_SDFT func (deepmodeling#5094)

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Commits on Sep 6, 2024

• Refactor: remove out_mat_dh, out_mat_t, out_mat_hsR, out_mat_hs from HSolverLCAO (deepmodeling#5058)

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• remove phsol (deepmodeling#5054)

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Commits on Aug 31, 2024

• Refactor: refactor set_diagethr func and remove phsol from esolver [version 2] (deepmodeling#5017)

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Commits on Aug 14, 2024

• Refactor: Remove the inheritance relationship between hsolverLCAO/hsolverLIP and hsolver (deepmodeling#4960)

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Commits on Aug 12, 2024

• Refactor: reset_diag_ethr && cal_hsolve_error func in hsolver (deepmodeling#4940)

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Commits on Aug 11, 2024

• Refactor: change hsolver-lcao call manner in SpinConstrain (deepmodeling#4946)

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Commits on Aug 9, 2024

• change hsolver-lip call manner (deepmodeling#4931)

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• Refactor: change hsolver_lcao call manner (deepmodeling#4929)

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Commits on Aug 4, 2024

• Refactor: remove useless values in Hsolverpw (deepmodeling#4875)

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Commits on Aug 3, 2024

• Refactor: remove pes from hsolver (deepmodeling#4861)

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Commits on Aug 1, 2024

• Refactor: move set_is_occupied func from hsolver to elecstate (deepmodeling#4847)

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• Refactor: remove pelec frome hsolverpw solve func (deepmodeling#4846)

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