jacob/lda.cc File Reference

#include <cmath>

Include dependency graph for jacob/lda.cc:

Functions
int	x_rks_s__ (const double *r__, double *f, double *dfdra)
int	x_uks_s__ (double *ra, double *rb, double *f, double *dfdra, double *dfdrb)
int	c_rks_vwn5__ (const double *r__, double *f, double *dfdra)
int	c_uks_vwn5__ (double *ra, double *rb, double *f, double *dfdra, double *dfdrb)

Function Documentation

int c_rks_vwn5__ ( const double *  r__, double *  f, double *  dfdra  )

inline

References a2, mpfr::atan(), c_b7, mpfr::log(), and sqrt().

Referenced by XCfunctional::exc(), and XCfunctional::vxc().

int c_uks_vwn5__ ( double *  ra, double *  rb, double *  f, double *  dfdra, double *  dfdrb  )

inline

References a1, a2, mpfr::atan(), c_b14, c_b7, std::tr1::f1, std::tr1::f2, std::tr1::f3, std::tr1::f4, mpfr::log(), sqrt(), ss1, and zeta.

Referenced by XCfunctional::exc(), and XCfunctional::vxc().

int x_rks_s__ ( const double *  r__, double *  f, double *  dfdra  )

inline

References c_b2.

Referenced by XCfunctional::exc(), and XCfunctional::vxc().

int x_uks_s__ ( double *  ra, double *  rb, double *  f, double *  dfdra, double *  dfdrb  )

inline

References c_b2.

Referenced by XCfunctional::exc(), and XCfunctional::vxc().