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deepmodeling / abacus-develop Public

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Refactor: charge_mixing::set_mixing()#3596

Merged

WHUweiqingzhou merged 12 commits into

deepmodeling:developdeepmodeling/abacus-develop:developfrom

WHUweiqingzhou:refactor_mixing_newWHUweiqingzhou/abacus-develop:refactor_mixing_newCopy head branch name to clipboard

Feb 4, 2024

Conversation Commits12 (12)Checks Files changed

Merged

Refactor: charge_mixing::set_mixing()#3596
WHUweiqingzhou merged 12 commits into
deepmodeling:developfrom
WHUweiqingzhou:refactor_mixing_new

Commits

Commits on Feb 2, 2024

move mixing_data object from public to private
WHUweiqingzhou
committed
move kerker and inner_product functions from public to private
WHUweiqingzhou
committed
move mix_rho_real() and mix_rho_recip() functions from public to private
WHUweiqingzhou
committed
add some comments
WHUweiqingzhou
committed
add some private parameters in charge_mixing.h
WHUweiqingzhou
committed
define a get_mixing() to return mixing object
WHUweiqingzhou
committed

Commits on Feb 4, 2024

fix bugs induced by new set_mixing()
WHUweiqingzhou
committed
move parameters checks from esolver_ks::Init() to set_mixing()
WHUweiqingzhou
committed
polish charge_mixing_test to protect set_mixing()
WHUweiqingzhou
committed
Merge branch 'develop' into refactor_mixing_new
WHUweiqingzhou
authored
fix a bug induced by negative mixing_beta_mag
WHUweiqingzhou
committed
Merge branch 'refactor_mixing_new' of https://github.com/WHUweiqingzhou/abacus-develop into refactor_mixing_new
WHUweiqingzhou
committed

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