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sc::PointOutputData(3) MPQC sc::PointOutputData(3)

NAME

sc::PointOutputData - Contains data generated at each point by a DenFunctional.

SYNOPSIS

#include <functional.h>

Public Member Functions


void zero ()

Public Attributes


double energy
double df_drho_a
double df_drho_b
double df_dgamma_aa
double df_dgamma_bb
double df_dgamma_ab

Detailed Description

Contains data generated at each point by a DenFunctional.

Author

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Sun Oct 4 2020 Version 2.3.1