Remove INPUT parameter nbands_istate
and unify the naming of real space wave function and partial charge density
#6336
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Remove the
nbands_istate
parameter. Update the naming conventions for output files and refactor the implementation of theget_pchg
andget_wf
module.Code Refactoring:
IState_Charge
class withGet_pchg_lcao
insource/module_io/get_pchg_lcao.cpp
to align with the new parameter structure and improve readability.nbands_istate
parameter and relying solely onout_pchg
.begin
methods for both gamma-only and multi-k calculations.Documentation Updates:
nbands_istate
parameter fromdocs/advanced/input_files/input-main.md
and updated references to useout_pchg
instead, providing a more flexible and compact syntax for selecting electronic states.out_pchg
,out_wfc_norm
, andout_wfc_re_im
parameters, emphasizing their usage for state-based calculations and updating output file naming conventions.