q3::UPFPseudopotentialFormat Class Reference

UPF v1 and v2, recognised by the XML tag every UPF file opens with. More...

#include <upf_pseudopotential_format.hpp>

Inheritance diagram for q3::UPFPseudopotentialFormat:

Public Member Functions
int	detection_priority () const override
	signature_detection_priority.
std::vector< std::string >	names () const override
	"upf".
std::unique_ptr< Pseudopotential >	read (const std::string &filename, int) const override
	The file's one dataset, read by UPFReader.
bool	recognizes (const std::string &first_line) const override
	A first line holding an XML tag.
Public Member Functions inherited from q3::PseudopotentialFormat
virtual	~PseudopotentialFormat ()=default

Static Public Attributes
static constexpr int	signature_detection_priority = 100
	Ranked as a definite signature: every UPF file opens with an XML tag.

Detailed Description

UPF v1 and v2, recognised by the XML tag every UPF file opens with.

Definition at line 21 of file upf_pseudopotential_format.hpp.

Member Function Documentation

detection_priority()

int q3::UPFPseudopotentialFormat::detection_priority ( ) const

inlineoverridevirtual

signature_detection_priority.

Implements q3::PseudopotentialFormat.

Definition at line 37 of file upf_pseudopotential_format.hpp.

References signature_detection_priority.

names()

std::vector< std::string > q3::UPFPseudopotentialFormat::names ( ) const

inlineoverridevirtual

"upf".

Implements q3::PseudopotentialFormat.

Definition at line 27 of file upf_pseudopotential_format.hpp.

read()

std::unique_ptr< Pseudopotential > q3::UPFPseudopotentialFormat::read ( const std::string &  filename, int    ) const

inlineoverridevirtual

The file's one dataset, read by UPFReader.

Implements q3::PseudopotentialFormat.

Definition at line 42 of file upf_pseudopotential_format.hpp.

References q3::UPFReader::read().

recognizes()

bool q3::UPFPseudopotentialFormat::recognizes ( const std::string &  first_line ) const

inlineoverridevirtual

A first line holding an XML tag.

Implements q3::PseudopotentialFormat.

Definition at line 32 of file upf_pseudopotential_format.hpp.

Member Data Documentation

signature_detection_priority

constexpr int q3::UPFPseudopotentialFormat::signature_detection_priority = 100

staticconstexpr

Ranked as a definite signature: every UPF file opens with an XML tag.

Definition at line 24 of file upf_pseudopotential_format.hpp.

Referenced by detection_priority().

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

• src/io/pseudopotential/upf_pseudopotential_format.hpp