spinconstrain::ScAtomData Struct Reference

struct for storing parameters of non-collinear spin-constrained DFT More...

#include <spin_constrain.h>

Collaboration diagram for spinconstrain::ScAtomData:

Public Attributes
int	index
std::vector< double >	lambda
std::vector< double >	target_mag
std::vector< int >	constrain
int	mag_type
double	target_mag_val
double	target_mag_angle1
double	target_mag_angle2

Detailed Description

struct for storing parameters of non-collinear spin-constrained DFT

Member Data Documentation

constrain

std::vector<int> spinconstrain::ScAtomData::constrain

index

int spinconstrain::ScAtomData::index

lambda

std::vector<double> spinconstrain::ScAtomData::lambda

mag_type

int spinconstrain::ScAtomData::mag_type

target_mag

std::vector<double> spinconstrain::ScAtomData::target_mag

target_mag_angle1

double spinconstrain::ScAtomData::target_mag_angle1

target_mag_angle2

double spinconstrain::ScAtomData::target_mag_angle2

target_mag_val

double spinconstrain::ScAtomData::target_mag_val

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_lcao/module_deltaspin/spin_constrain.h