diff --git a/perturbation/lib/mp2.ml b/perturbation/lib/mp2.ml
index 6586cb6..380296f 100644
--- a/perturbation/lib/mp2.ml
+++ b/perturbation/lib/mp2.ml
@@ -1,24 +1,13 @@
-(* [[file:~/QCaml/perturbation/mp2.org::*Type][Type:2]] *)
+(** Type *)
+
 type t = {
   energy      : float ;
   mo_basis    : Mo.Basis.t ;
   frozen_core : Mo.Frozen_core.t ;
 }
-(* Type:2 ends here *)
 
+(** Creation *)
 
-
-(*    | ~make~ | Creates an MP2 data structure |
- * 
- *    #+begin_example
- * let mp2 =
- *   Perturbation.Mp2.make ~frozen_core:(Mo.Frozen_core.(make Small nuclei)) mo_basis
- *   ;;
- * val mp2 : Perturbation.Mp2.t = E(MP2)=-0.185523
- *    #+end_example *)
-
-
-(* [[file:~/QCaml/perturbation/mp2.org::*Creation][Creation:2]] *)
 open Linear_algebra
 
 let make_rmp2 mo_basis mo_class =
@@ -37,22 +26,22 @@ let make_rmp2 mo_basis mo_class =
   List.fold_left (fun accu b ->
     match b with Mo.Class.Virtual b ->
       let eps = -. (epsilon%.(b)) in
-      accu +. 
+      accu +.
       List.fold_left (fun accu a ->
         match a with Mo.Class.Virtual a ->
           let eps = eps -. (epsilon%.(a)) in
-          accu +. 
+          accu +.
           List.fold_left (fun accu j ->
             match j with Mo.Class.Inactive j ->
               let eps = eps +. epsilon%.(j) in
-              accu +. 
+              accu +.
               List.fold_left (fun accu i ->
                 match i with Mo.Class.Inactive i ->
                   let eps = eps +. epsilon%.(i) in
                   let ijab = Four_idx_storage.get_phys eri i j a b
                   and abji = Four_idx_storage.get_phys eri a b j i in
                   let abij =  ijab in
-                  accu +. ijab *. ( abij +. abij -. abji) /. eps 
+                  accu +. ijab *. ( abij +. abij -. abji) /. eps
                            | _ -> accu
               ) 0. inactives
                        | _ -> accu
@@ -70,7 +59,7 @@ let make ~frozen_core mo_basis =
     |> Mo.Class.to_list
   in
 
-  let energy = 
+  let energy =
     match Mo.Basis.mo_type mo_basis with
     | RHF  -> make_rmp2 mo_basis mo_class
     | ROHF -> Common.Util.not_implemented "ROHF MP2"
@@ -78,26 +67,17 @@ let make ~frozen_core mo_basis =
     | _    -> invalid_arg "MP2 needs RHF or ROHF MOs"
   in
   { energy ; mo_basis ; frozen_core }
-(* Creation:2 ends here *)
 
 
+(** Access *)
 
-(* | ~energy~      | Returns the MP2 energy                                        |
- * | ~mo_basis~    | Returns the MO basis on which the MP2 energy was computed     |
- * | ~frozen_core~ | Returns the frozen_core scheme used to compute the MP2 energy |
- * 
- * #+begin_example
- * 
- * #+end_example *)
-
-
-(* [[file:~/QCaml/perturbation/mp2.org::*Access][Access:2]] *)
 let energy      t = t.energy
 let mo_basis    t = t.mo_basis
 let frozen_core t = t.frozen_core
-(* Access:2 ends here *)
 
-(* [[file:~/QCaml/perturbation/mp2.org::*Printers][Printers:2]] *)
+
+(** Printers *)
+
 let pp ppf t =
   Format.fprintf ppf "@[E(MP2)=%f@]" t.energy
-(* Printers:2 ends here *)
+
diff --git a/perturbation/lib/mp2.mli b/perturbation/lib/mp2.mli
index 5017a83..f9d294d 100644
--- a/perturbation/lib/mp2.mli
+++ b/perturbation/lib/mp2.mli
@@ -1,29 +1,36 @@
-(* Type *)
+(** Data structure for an MP2 calculation *)
+
+(**
+  * let mp2 =
+  *   Perturbation.Mp2.make ~frozen_core:(Mo.Frozen_core.(make Small nuclei)) mo_basis
+  *   ;;
+  * val mp2 : Perturbation.Mp2.t = E(MP2)=-0.185523
+  *
+  *)
 
 
-(* [[file:~/QCaml/perturbation/mp2.org::*Type][Type:1]] *)
+(** Type *)
+
 type t
-(* Type:1 ends here *)
-
-(* Creation *)
 
 
-(* [[file:~/QCaml/perturbation/mp2.org::*Creation][Creation:1]] *)
+(** Creation *)
+
 val make : frozen_core:Mo.Frozen_core.t -> Mo.Basis.t -> t
-(* Creation:1 ends here *)
-
-(* Access *)
 
 
-(* [[file:~/QCaml/perturbation/mp2.org::*Access][Access:1]] *)
+(** Access *)
+
 val energy      : t -> float
+(* Returns the MP2 energy *)
+
 val mo_basis    : t -> Mo.Basis.t
+(* Returns the MO basis on which the MP2 energy was computed *)
+
 val frozen_core : t -> Mo.Frozen_core.t
-(* Access:1 ends here *)
-
-(* Printers *)
+(* Returns the frozen_core scheme used to compute the MP2 energy *)
 
 
-(* [[file:~/QCaml/perturbation/mp2.org::*Printers][Printers:1]] *)
+(** Printers *)
+
 val pp : Format.formatter -> t -> unit
-(* Printers:1 ends here *)
diff --git a/perturbation/mp2.org b/perturbation/mp2.org
deleted file mode 100644
index 773de2f..0000000
--- a/perturbation/mp2.org
+++ /dev/null
@@ -1,180 +0,0 @@
-#+begin_src elisp tangle: no :results none :exports none
-(setq pwd (file-name-directory buffer-file-name))
-(setq name (file-name-nondirectory (substring buffer-file-name 0 -4)))
-(setq lib (concat pwd "lib/"))
-(setq testdir (concat pwd "test/"))
-(setq mli (concat lib name ".mli"))
-(setq ml  (concat lib name ".ml"))
-(setq test-ml  (concat testdir name ".ml"))
-(org-babel-tangle)
-#+end_src 
-
-* MP2
-  :PROPERTIES:
-  :header-args: :noweb yes :comments both
-  :END:
-
-** Type
-
-   #+begin_src ocaml :tangle (eval mli)
-type t
-   #+end_src
-
-   #+begin_src ocaml :tangle (eval ml) :exports none
-type t = {
-  energy      : float ;
-  mo_basis    : Mo.Basis.t ;
-  frozen_core : Mo.Frozen_core.t ;
-}
-   #+end_src
-
-** Creation
-
-   #+begin_src ocaml :tangle (eval mli)
-val make : frozen_core:Mo.Frozen_core.t -> Mo.Basis.t -> t
-   #+end_src
-
-   | ~make~ | Creates an MP2 data structure |
-
-   #+begin_example
-let mp2 =
-  Perturbation.Mp2.make ~frozen_core:(Mo.Frozen_core.(make Small nuclei)) mo_basis
-  ;;
-val mp2 : Perturbation.Mp2.t = E(MP2)=-0.185523
-   #+end_example
-
-   #+begin_src ocaml :tangle (eval ml) :exports none
-open Linear_algebra
-
-let make_rmp2 mo_basis mo_class =
-
-  let epsilon = Mo.Basis.mo_energies mo_basis in
-  let eri     = Mo.Basis.ee_ints     mo_basis in
-
-  let inactives =
-    List.filter (fun i ->
-      match i with Mo.Class.Inactive _ -> true | _ -> false) mo_class
-  and virtuals =
-    List.filter (fun i ->
-      match i with Mo.Class.Virtual _ -> true | _ -> false) mo_class
-  in
-
-  List.fold_left (fun accu b ->
-    match b with Mo.Class.Virtual b ->
-      let eps = -. (epsilon%.(b)) in
-      accu +. 
-      List.fold_left (fun accu a ->
-        match a with Mo.Class.Virtual a ->
-          let eps = eps -. (epsilon%.(a)) in
-          accu +. 
-          List.fold_left (fun accu j ->
-            match j with Mo.Class.Inactive j ->
-              let eps = eps +. epsilon%.(j) in
-              accu +. 
-              List.fold_left (fun accu i ->
-                match i with Mo.Class.Inactive i ->
-                  let eps = eps +. epsilon%.(i) in
-                  let ijab = Four_idx_storage.get_phys eri i j a b
-                  and abji = Four_idx_storage.get_phys eri a b j i in
-                  let abij =  ijab in
-                  accu +. ijab *. ( abij +. abij -. abji) /. eps 
-                           | _ -> accu
-              ) 0. inactives
-                       | _ -> accu
-          ) 0. inactives
-                   | _ -> accu
-      ) 0. virtuals
-               | _ -> accu
-  ) 0. virtuals
-
-
-let make ~frozen_core mo_basis =
-
-  let mo_class =
-    Mo.Class.cas_sd mo_basis ~frozen_core 0 0
-    |> Mo.Class.to_list
-  in
-
-  let energy = 
-    match Mo.Basis.mo_type mo_basis with
-    | RHF  -> make_rmp2 mo_basis mo_class
-    | ROHF -> Common.Util.not_implemented "ROHF MP2"
-    | UHF  -> Common.Util.not_implemented "UHF MP2"
-    | _    -> invalid_arg "MP2 needs RHF or ROHF MOs"
-  in
-  { energy ; mo_basis ; frozen_core }
-   #+end_src
-
-** Access
-
-   #+begin_src ocaml :tangle (eval mli)
-val energy      : t -> float
-val mo_basis    : t -> Mo.Basis.t
-val frozen_core : t -> Mo.Frozen_core.t
-   #+end_src
-
-   | ~energy~      | Returns the MP2 energy                                        |
-   | ~mo_basis~    | Returns the MO basis on which the MP2 energy was computed     |
-   | ~frozen_core~ | Returns the frozen_core scheme used to compute the MP2 energy |
-
-   #+begin_example
-
-   #+end_example
-
-   #+begin_src ocaml :tangle (eval ml) :exports none
-let energy      t = t.energy
-let mo_basis    t = t.mo_basis
-let frozen_core t = t.frozen_core
-   #+end_src
-
-** Printers
-
-   #+begin_src ocaml :tangle (eval mli)
-val pp : Format.formatter -> t -> unit
-   #+end_src
-
-   #+begin_src ocaml :tangle (eval ml) :exports none
-let pp ppf t =
-  Format.fprintf ppf "@[E(MP2)=%f@]" t.energy
-   #+end_src
-
-** Tests
-
-   #+begin_src ocaml :tangle (eval test-ml) :exports none
-open Alcotest
-open Particles
-    
-let wd = Common.Qcaml.root ^ Filename.dir_sep ^ "test"
-
-let tests = 
-  [ "HF Water", `Quick, fun () -> 
-      let nuclei =
-        wd ^ Filename.dir_sep ^ "water.xyz"
-        |> Nuclei.of_xyz_file 
-      in
-      let basis_filename =
-        wd ^ Filename.dir_sep ^ "cc-pvdz"
-      in
-      let ao_basis = 
-        Ao.Basis.of_nuclei_and_basis_filename ~kind:`Gaussian
-          ~cartesian:false ~nuclei basis_filename
-      in
-
-      let simulation = Simulation.make ~nuclei ao_basis in
-
-      let hf = Mo.Hartree_fock.make ~guess:`Huckel simulation in
-      Format.printf "%a" (Mo.Hartree_fock.pp) hf;
-      check (float 2.e-10) "Energy" (-76.0267987005) (Mo.Hartree_fock.energy hf);
-
-      let mo_basis = Mo.Basis.of_hartree_fock hf in
-
-      let frozen_core = Mo.Frozen_core.(make Small nuclei) in
-
-      let mp2 = Perturbation.Mp2.make ~frozen_core mo_basis in
-
-      let e_mp2 = Perturbation.Mp2.energy mp2 in
-
-      check (float 1.e-9) "MP2" (-0.2016211415) (e_mp2)
-  ]
-   #+end_src
-