(** All constants used in the program. *) (** {2 Thresholds } *) val epsilon : float (** Value below which a float is considered null. Default is {% $\epsilon$ %} = 10{^-20}. *) val integrals_cutoff : float (** Cutoff value for integrals. Default is 10{^-15}. *) (** {2 Mathematical constants } *) val pi : float (** {% $\pi$ %} = 3.141_592_653_589_793_12 *) val two_pi : float (** {% $2\pi$ %} *) val sq_pi : float (** {% $\sqrt{\pi}$ %} *) val sq_pi_over_two : float (** {% $\frac{\sqrt{\pi}}{2}$ %} *) val pi_inv : float (** {% $\frac{1}{\pi}$ %} *) val two_over_sq_pi : float (** {% $\frac{2}{\sqrt{\pi}}$ %} *) (** {2 Physical constants} *) val a0 : float (** Bohr radius : {% $a_0$ %} = 0.529 177 210 67(23) Angstrom *) val a0_inv : float (** {% $\frac{1}{a_0}$ %} *) val ha_to_ev : float (** Hartree to eV conversion factor :: 27.211 386 02(17) *) val ev_to_ha : float (** eV to Hartree conversion factor : 1/{ha_to_ev} *)