Class ORB_table_alpha¶

Defined in File ORB_table_alpha.h

Class Documentation¶

class ORB_table_alpha¶

Public Functions

ORB_table_alpha()¶

~ORB_table_alpha()¶

void allocate(const int &ntype, const int &lmax_in, const int &kmesh_in, const double &Rmax_in, const double &dR_in, const double &dk_in)¶

void init_DS_Opair(void)¶: O stands for orbitals.

void init_DS_2Lplus1(void)¶

void init_Table_Alpha(Sph_Bessel_Recursive::D2 *pSB)¶

void Destroy_Table_Alpha(void)¶

Public Members

double *****Table_DSR¶: overlap between lcao basis phi and descriptor basis alpha

bool destroy_nr¶

IntArray DS_Opair¶

int *DS_2Lplus1¶

int Rmesh¶

int ntype¶

int lmax¶

Public Static Functions

static int get_rmesh(const double &R1, const double &R2)¶

Public Static Attributes

static double dr = -1.0¶