Implementation of Slater functional and its derivatives .
(c), Pawel Salek, pawsa.nosp@m.@the.nosp@m.ochem.nosp@m..kth.nosp@m..se, aug 2001 Z. Rinkevicius adapted for open shell systems: energy, first derivatives. NOTE: this file may seem unnecessarily complex but the structure really pays off when implementing multiple functionals depending on different parameters.
Initial value:= {
"Slater",
NULL,
}
static void slater_fourth(FunFourthFuncDrv *ds, real fac, const FunDensProp *)
Definition: fun-slater.c:164
static void slater_third(FunThirdFuncDrv *ds, real fac, const FunDensProp *)
Definition: fun-slater.c:144
static int slater_isgga(void)
Definition: fun-slater.c:49
static void slater_first(FunFirstFuncDrv *ds, real fac, const FunDensProp *)
Definition: fun-slater.c:119
static real slater_energy(const FunDensProp *dp)
Definition: fun-slater.c:81
static void slater_second(FunSecondFuncDrv *ds, real fac, const FunDensProp *)
Definition: fun-slater.c:127
static int slater_read(const char *conf_line)
Definition: fun-slater.c:71
Referenced by b3lyp_read(), b3lypgauss_read(), b3p86_read(), b3p86g_read(), b3pw91_read(), bhandh_read(), bhandhlyp_read(), blyp_read(), bp86_read(), bpw91_read(), camb3lyp_read(), kt1_read(), kt2_read(), kt3_read(), lb94_energy(), lb94_first(), lb94_second(), lb94_third(), lda_energy(), lda_first(), lda_fourth(), lda_second(), lda_third(), ldagauss_read(), olyp_read(), and xalpha_read().