ChargeTest Class Reference

Inheritance diagram for ChargeTest:

Collaboration diagram for ChargeTest:

Protected Member Functions
void	SetUp () override
void	TearDown () override

Protected Attributes
UcellTestPrepare	utp = UcellTestLib["Si"]
std::unique_ptr< UnitCell >	ucell
Charge *	charge
ModulePW::PW_Basis *	rhopw
std::string	output

Detailed Description

• Tested Functions:
  • Constructor: Charge::Charge() and Charge::~Charge()
    • this is a trivial test
  • Allocate: Charge::set_rhopw(), Charge::allocate(), Charge::destroy()
    • allocate rho, rhog, rho_save, rhog_save, kin_r, kin_r_save
    • using rhopw and PARAM.input.nspin
  • SumRho: Charge::sum_rho()
    • calculate \sum_{is}^nspin \sum_{ir}^nrxx rho[is][ir]
  • RenormalizeRho: Charge::renormalize_rho()
    • renormalize rho so as to ensure the sum of rho equals to total number of electrons
  • CheckNe: Charge::cal_rho2ne()
    • check the total number of electrons summed from rho[is]
  • SaveRhoBeforeSumBand: Charge::save_rho_before_sum_band()
    • meaning as the function name
  • InitFinalScf:: Charge::init_final_scf()
    • similar to Charge::allocate(), but for final scf

Member Function Documentation

SetUp()

void ChargeTest::SetUp ( )

inlineoverrideprotected

Here is the call graph for this function:

TearDown()

void ChargeTest::TearDown ( )

inlineoverrideprotected

Member Data Documentation

charge

Charge* ChargeTest::charge

protected

output

std::string ChargeTest::output

protected

rhopw

ModulePW::PW_Basis* ChargeTest::rhopw

protected

ucell

std::unique_ptr<UnitCell> ChargeTest::ucell

protected

utp

UcellTestPrepare ChargeTest::utp = UcellTestLib["Si"]

protected

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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_test.cpp