3.4.8. horton/gbasis/common.h – Auxiliary functions

Defines

MAX_SHELL_TYPE
MAX_NCART_CUMUL

Functions

long fac(long n)
long fac2(long n)
long binom(long n, long m)
long get_shell_nbasis(long shell_type)
long get_max_shell_type()
const double dist_sq(const double *r0, const double *r1)
void compute_gpt_center(double alpha0, const double *r0, double alpha1, const double *r1, double gamma_inv, double *gpt_center)
double gpt_coeff(long k, long n0, long n1, double pa, double pb)
double gb_overlap_int1d(long n0, long n1, double pa, double pb, double gamma_inv)
void nuclear_attraction_helper(double *work_g, long n0, long n1, double pa, double pb, double pc, double gamma_inv)