FirstDrv Struct Reference

A vector of first order derivatives with respect to two parameters: density rho and SQUARE of the gradient of density grho. More...

#include <dft_common.h>

Public Attributes
real	fR
real	fZ

Detailed Description

A vector of first order derivatives with respect to two parameters: density rho and SQUARE of the gradient of density grho.

zeta_i = |nabla rho_i|^2

Member Data Documentation

fR

real FirstDrv::fR

Referenced by dftpot0_(), xcCallbackGgaR(), and xcCallbackLdaR().

fZ

real FirstDrv::fZ

Referenced by dftpot0_(), and xcCallbackGgaR().

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

• source/dft/dft_common.h