ChargeMixingTest Class Reference

Inheritance diagram for ChargeMixingTest:

Collaboration diagram for ChargeMixingTest:

Public Member Functions
	ChargeMixingTest ()

Public Attributes
UnitCell	ucell
ModulePW::PW_Basis	pw_basis
ModulePW::PW_Basis_Sup	pw_dbasis
Charge	charge

Detailed Description

• Tested Functions:
  • SetMixingTest: Charge_Mixing::set_mixing() Charge_Mixing::init_mixing() Charge_Mixing::set_rhopw(rhopw_in) Charge_Mixing::get_mixing_mode() Charge_Mixing::get_mixing_beta() Charge_Mixing::get_mixing_ndim() Charge_Mixing::get_mixing_gg0()
    • set the basic parameters of class charge_mixing
  • KerkerScreenTest: Charge_Mixing::Kerker_screen_recip(drhog) Charge_Mixing::Kerker_screen_real(drhog)
    • screen drho with Kerker method
  • InnerDotTest: Charge_Mixing::inner_product_recip_hartree(rhog1, rhog2) Charge_Mixing::inner_product_recip_rho(rhog1, rhog2) Charge_Mixing::inner_product_recip_simple(rhog1, rhog2) Charge_Mixing::inner_product_real(rho1, rho2)
    • calculate the inner product of two vectors
  • MixRhoTest: Charge_Mixing::mix_rho(chr) Charge_Mixing::mix_rho_recip(chr) Charge_Mixing::mix_rho_real(chr)
    • mix rho with different methods
  • MixDivCombTest: Charge_Mixing::divide_data Charge_Mixing::combine_data Charge_Mixing::clean_data
    • divide and combine data

Constructor & Destructor Documentation

ChargeMixingTest()

ChargeMixingTest::ChargeMixingTest ( )

inline

Here is the call graph for this function:

Member Data Documentation

charge

Charge ChargeMixingTest::charge

pw_basis

ModulePW::PW_Basis ChargeMixingTest::pw_basis

pw_dbasis

ModulePW::PW_Basis_Sup ChargeMixingTest::pw_dbasis

ucell

UnitCell ChargeMixingTest::ucell

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The documentation for this class was generated from the following file:

• /home/runner/work/abacus-develop/abacus-develop/source/source_estate/test/charge_mixing_test.cpp