sc::PointOutputData Struct Reference

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

#include <chemistry/qc/dft/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.

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

• src/lib/chemistry/qc/dft/functional.h