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ElecGradient Struct Reference

Vector space entry for electronic minimization. More...

#include <ElecMinimizer.h>

Public Member Functions

void init (const Everything &e)
 initialize C and Haux with the correct sizes for everything
 
ElecGradientoperator*= (double alpha)
 scalar multiply
 

Public Attributes

std::vector< ColumnBundleC
 wavefunctions
 
std::vector< matrixHaux
 auxiliary Hamiltonian
 
const ElecInfoeInfo
 

Detailed Description

Vector space entry for electronic minimization.


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