InitDMFileTest Class Reference

Inheritance diagram for InitDMFileTest:

Collaboration diagram for InitDMFileTest:

Protected Member Functions
void	SetUp () override
void	TearDown () override
void	write_test_csr (const std::string &filename, double scale, int ispin, int nspin)
	Build an HContainer with diagonal values at R=(0,0,0) and write it via write_dmr_csr.
elecstate::DensityMatrix< double, double > *	create_dm (int nspin)
	Create DensityMatrix with given nspin and initialize DMR from an HContainer template.

Protected Attributes
Parallel_Orbitals *	paraV
UnitCell	ucell
int	nlocal

Member Function Documentation

create_dm()

elecstate::DensityMatrix< double, double > * InitDMFileTest::create_dm ( int  nspin )

inlineprotected

Create DensityMatrix with given nspin and initialize DMR from an HContainer template.

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SetUp()

void InitDMFileTest::SetUp ( )

inlineoverrideprotected

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TearDown()

void InitDMFileTest::TearDown ( )

inlineoverrideprotected

write_test_csr()

void InitDMFileTest::write_test_csr ( const std::string &  filename, double  scale, int  ispin, int  nspin  )

inlineprotected

Build an HContainer with diagonal values at R=(0,0,0) and write it via write_dmr_csr.

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Member Data Documentation

nlocal

int InitDMFileTest::nlocal

protected

paraV

Parallel_Orbitals* InitDMFileTest::paraV

protected

ucell

UnitCell InitDMFileTest::ucell

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_lcao/test/test_init_dm_from_file.cpp