ChargeExtraTest Class Reference

Inheritance diagram for ChargeExtraTest:

Collaboration diagram for ChargeExtraTest:

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

Protected Attributes
Charge_Extra	CE
UcellTestPrepare	utp = UcellTestLib["Si"]
std::unique_ptr< UnitCell >	ucell
Parallel_Grid *	pgrid = nullptr
Charge	charge
Structure_Factor	sf

Detailed Description

• Tested Functions:
  • Charge_Extra::Init_CE()
    • Initialization of viriables used in charge extrapolation methods
  • Charge_Extra::extrapolate_charge()
    • charge extrapolation
  • Charge_Extra::update_all_dis()
    • update displacements
  • Charge_Extra::find_alpha_and_beta()
    • determine alpha and beta

Member Function Documentation

SetUp()

void ChargeExtraTest::SetUp ( )

inlineoverrideprotected

Here is the call graph for this function:

TearDown()

void ChargeExtraTest::TearDown ( )

inlineoverrideprotected

Member Data Documentation

CE

Charge_Extra ChargeExtraTest::CE

protected

charge

Charge ChargeExtraTest::charge

protected

pgrid

Parallel_Grid* ChargeExtraTest::pgrid = nullptr

protected

sf

Structure_Factor ChargeExtraTest::sf

protected

ucell

std::unique_ptr<UnitCell> ChargeExtraTest::ucell

protected

utp

UcellTestPrepare ChargeExtraTest::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_extra_test.cpp