28#ifndef _chemistry_qc_scf_effh_h
29#define _chemistry_qc_scf_effh_h
35#include <math/scmat/blkiter.h>
36#include <math/scmat/blocked.h>
37#include <chemistry/qc/scf/scf.h>
41class AccumEffectiveH:
public BlockedSCElementOp2 {
46 virtual void init() =0;
50 int index(
int hindex,
int shelli,
int shellj);
55 double& coef(
int i,
int j,
int k) {
return coef_[index(i,j,k)]; }
58 AccumEffectiveH(
SCF*);
59 virtual ~AccumEffectiveH();
79class GSGeneralEffH:
public AccumEffectiveH {
103class GSHighSpinEffH:
public AccumEffectiveH {
108 GSHighSpinEffH(
SCF*);
127class TestEffH:
public AccumEffectiveH {
151class PsiEffH:
public AccumEffectiveH {
The SCF class is the base for all classes that use a self-consistent field procedure to solve an effe...
Definition scf.h:49
The SCMatrixBlockIter class is used to described iterates that loop through the elements in a block.
Definition blkiter.h:50