math_cutil library

abbreviation

abbreviation

original

EP

Eigenvalue problem

GEP

Generalizaed eigenvalue problem

cGS

Classic Gram-Schmit

mGS

Modified Gram Schmit

types in math_cutil

Type

Description

prtFmt

point to a print function

classes in math_cutil

Class

Description

HVSIinfo

Infomation structure for iVI (EP,GEP)

TDVSIinfo

Infomation structure for iVI (GEP for TDDFT)

HVSIsolver

core class of iVI (EP)

EHVSIsolver

iVI (EP) for exterior roots

IHVSIsolver

iVI (EP) for interior roots

GVSIsolver

core class of iVI (GEP)

EGVSIsolver

iVI (EP) for exterior roots

IGVSIsolver

iVI (EP) for interior roots

TDVSIsolver

core class of iVI (GEP for TDDFT)

ETDVSIsolver

iVI (GEP for TDDFT) for exterior roots

ITDVSIsolver

iVI (GEP for TDDFT) for interior roots

GTMAT

class to specific matrix/number operation (REAL/Complex/other)

HMAT

class to unify large matrix (explicit or implicit) operations

functions in math_cutil

Function

Description

x_domatcopy

Wrap function for matrix copy (double). Compatible to intel mkl_domatcopy.

z_domatcopy

Wrap function for matrix copy (double complex). Compatible to intel mkl_zomatcopy.

x_dgeprint

Print double matrix in unlimited line width. (Compatible for Fortran)

x_tgeprint

Print matrix in unlimited line width. (double,complex or other, C/CPP only)