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