mirror of
https://gitlab.com/scemama/QCaml.git
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80 lines
2.4 KiB
Org Mode
80 lines
2.4 KiB
Org Mode
#+begin_src elisp tangle: no :results none :exports none
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(setq pwd (file-name-directory buffer-file-name))
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(setq name (file-name-nondirectory (substring buffer-file-name 0 -4)))
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(setq lib (concat pwd "lib/"))
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(setq testdir (concat pwd "test/"))
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(setq mli (concat lib name ".mli"))
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(setq ml (concat lib name ".ml"))
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(setq test-ml (concat testdir name ".ml"))
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(org-babel-tangle)
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#+end_src
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* Constants
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:PROPERTIES:
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:header-args: :noweb yes :comments both
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:END:
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All constants used in the program.
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** Thresholds
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#+begin_src ocaml :tangle (eval mli)
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val epsilon : float
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val integrals_cutoff : float
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#+end_src
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| ~epsilon~ | Value below which a float is considered null. Default is \epsilon = 2.10^{-15} |
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| ~integrals_cutoff~ | Cutoff value for integrals. Default is \epsilon |
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#+begin_src ocaml :tangle (eval ml) :exports none
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let epsilon = 2.e-15
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let integrals_cutoff = epsilon
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#+end_src
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** Mathematical constants
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#+begin_src ocaml :tangle (eval mli)
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val pi : float
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val two_pi : float
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val sq_pi : float
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val sq_pi_over_two : float
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val pi_inv : float
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val two_over_sq_pi : float
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#+end_src
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| ~pi~ | $\pi = 3.141~592~653~589~793~12$ |
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| ~two_pi~ | $2 \pi$ |
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| ~sq_pi~ | $\sqrt{\pi}$ |
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| ~sq_pi_over_two~ | $\sqrt{\pi} / 2$ |
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| ~pi_inv~ | $1 / \pi$ |
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| ~two_over_sq_pi~ | $2 / \sqrt{\pi}$ |
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#+begin_src ocaml :tangle (eval ml) :exports none
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let pi = acos (-1.)
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let two_pi = 2. *. pi
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let sq_pi = sqrt pi
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let sq_pi_over_two = sq_pi *. 0.5
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let pi_inv = 1. /. pi
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let two_over_sq_pi = 2. /. sq_pi
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#+end_src
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** Physical constants
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#+begin_src ocaml :tangle (eval mli)
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val a0 : float
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val a0_inv : float
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val ha_to_ev : float
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val ev_to_ha : float
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#+end_src
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| ~a0~ | Bohr's radius : $a_0 = 0.529~177~210~67(23)$ angstrom |
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| ~a0_inv~ | $1 / a_0$ |
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| ~ha_to_ev~ | Hartree to eV conversion factor : $27.211~386~02(17)$ |
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| ~ev_to_ha~ | eV to Hartree conversion factor : 1 / ~ha_to_ev~ |
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#+begin_src ocaml :tangle (eval ml) :exports none
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let a0 = 0.529_177_210_67
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let a0_inv = 1. /. a0
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let ha_to_ev = 27.211_386_02
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let ev_to_ha = 1. /. ha_to_ev
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#+end_src
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