Update initialization of pw_wfc in esolver_ks.cpp, also some old gint has been deleted, E_bandgap has been changed to E_gap(k), struct efermi has been changed to Efermi#6617
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mohanchen merged 23 commits intodeepmodeling:developfrom Oct 19, 2025
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…update_pot, which is replaced by update_pot function in estate, the other is save2 function used in after_iter
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In the file source/source_io/test/print_info_test.cpp, there are multiple setup_parameters that should be replaced with new print_parameters.
AsTonyshment
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… has been deleted, E_bandgap has been changed to E_gap(k), struct efermi has been changed to Efermi (deepmodeling#6617) * add update_pot in source_estate * split update_pot in rt-TDDFT into two functions, one is the original update_pot, which is replaced by update_pot function in estate, the other is save2 function used in after_iter * fix bugs * update * update esolver_ks * small updates * small bug fixed * update E_bandgap to E_gap(k) * delete rho_restart file * change setup_parameters to print_parameters * move setup_pw.cpp to setup_pwwfc.cpp in module_pwdft * update esolver, small things * delete some old_gint codes in esolver * fix bugs, update outputs * fix bug in tests * change efermi to Efermi in fp_energy.h * fix bugs * fix exd and exc in ctrl_runner_lcao * fix cmake * fix bug
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Update initialization of pw_wfc in esolver_ks.cpp