Psi4
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In-core Davidson-Liu diagonalization of symm matrices. More...

#include <cstdio>
#include <cstdlib>
#include <cstring>
#include <cmath>
#include "psi4/libciomr/libciomr.h"
#include "psi4/libqt/qt.h"

Namespaces

 psi
 This is all defined in python.cc initialize.
 

Macros

#define BIGNUM   1E100
 
#define MAXIT   1000
 

Functions

int psi::david (double **A, int N, int M, double *eps, double **v, double cutoff, int print)
 

Detailed Description

In-core Davidson-Liu diagonalization of symm matrices.

Macro Definition Documentation

#define BIGNUM   1E100
#define MAXIT   1000