MPQC 2.3.1
sc::PointOutputData Struct Reference

Contains data generated at each point by a DenFunctional. More...

#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.


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

Generated at Fri Jan 31 2025 00:00:00 for MPQC 2.3.1 using the documentation package Doxygen 1.14.0.