Let's try removing the template of ESolver_KS_pw again - #7028

Merged

mohanchen merged 42 commits into

deepmodeling:developfrom

mohanchen:remove_template5

Mar 15, 2026

Commits on Mar 10, 2026

small format changes
abacus_fixer
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refactor(esolver): extract charge density symmetrization to Symmetry_rho::symmetrize_rho
abacus_fixer
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refactor(esolver): extract DeltaSpin lambda loop to deltaspin_lcao module
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refactor(esolver): complete DeltaSpin refactoring in LCAO
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refactor(esolver): extract DFT+U code to dftu_lcao module
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refactor(esolver): extract diagonalization parameters setup to hsolver module
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fix(deltaspin): add sc_mag_switch check in cal_mi_lcao_wrapper
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fix(deltaspin): add #ifdef __LCAO for conditional compilation
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refactor(esolver): extract SDFT diagonalization parameters setup
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Commits on Mar 11, 2026

refactor(hamilt): introduce HamiltBase non-template base class
abacus_fixer
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refactor(esolver): add static_cast for p_hamilt in esolver files
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refactor(esolver): remove psi member from ESolver_KS base class
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refactor(esolver): remove template parameters from ESolver_KS base class
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Commits on Mar 12, 2026

refactor(device): remove explicit template parameter from get_device_type calls
abacus_fixer
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refactor(esolver): remove device member variable from ESolver_KS_PW
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style(esolver): explicitly initialize ctx to nullptr in constructor
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feat(device): add runtime device type support to DeviceContext
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feat(device): add runtime device context overloads for gradual migration
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Commits on Mar 13, 2026

refactor(esolver): remove ctx member variable from ESolver_KS_PW
abacus_fixer
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Merge branch 'develop' into remove_template5
mohanchen
authored
refactor(psi): add runtime type information to Setup_Psi_pw
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refactor(esolver): use get_psi_t() accessor instead of direct psi_t access
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refactor(psi): change psi_t from template pointer to void*
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style: replace Chinese comments with English in setup_psi_pw.h
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refactor(psi): change psi_d from template pointer to void*
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refactor(psi): introduce PSIPrepareBase base class for template removal
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refactor(psi): change init() parameter from template to HamiltBase*
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refactor(psi): remove template version of copy_d2h function
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refactor(psi): remove castmem_2d_d2h_op template type alias dependency
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Commits on Mar 14, 2026

delete useless files
abacus_fixer
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refactor(psi): remove template parameters from Setup_Psi_pw class
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Merge branch 'develop' into remove_template5
mohanchen
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fix(psi): add explicit template instantiation for Setup_Psi_pw class
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refactor(psi): convert before_runner to non-template function
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refactor(psi): convert init to non-template function
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refactor(psi): move private member variables to private section
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refactor(psi): convert clean to non-template function
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refactor(psi): convert copy_d2h to non-template function
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refactor(psi): convert update_psi_d to non-template function
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refactor(exx): convert Exx_Helper to runtime polymorphism
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style: use static_cast instead of reinterpret_cast in deallocate_hamilt
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refactor(estate): convert setup_estate_pw to non-template function
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