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qp2/ocaml/Bitlist.mli
Anthony Scemama cebc19a601
Merge Master (#69)
* Changed native into SSE4.2 in gfortran.cfg

* Fixed rm opam_installer

* Fix configure

* Improving scaling of pt2 with network

* Router/dealer in qp_tunnel

* Reduced size of qp2.png

* Exclude temp files in tar

* Introduce NO_CACHE in configure for daily test

* Faster determinants in OCaml

* We always give max 10k dets in qp_edit. Read-only if more

* Fixed save_natorb

* Fixing bug in qp_edit

* Comments

* Biblio (#61)

* Biblio (#62)

* Update biblio

* Update paper

* Journal missing in research.bib

* Added paper

* Fixed Pierre Francois

* Checking number of electrons in MOs

* Biblio (#64)

* Update biblio

* Update paper

* Journal missing in research.bib

* Added paper

* Fixed Pierre Francois

* 2 papers

* Fixed 6-31G and quickstart (#65)

* Fixed 6-31 basis sets

* Bug in quickstart

* Biblio (#66)

* Bugfix (#67)

* Fixing opam installation

* Fixed 6-31 basis sets

* Bug in quickstart

* Use irpf90 v1.7.6

* Fix IRPF90 Path
2019-10-21 16:45:00 +02:00

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1.0 KiB
OCaml

type t
(** The zero bit list *)
val zero : Qptypes.N_int_number.t -> t
(** Convert to a string for printing *)
val to_string : t -> string
(** Read from a string *)
val of_string : ?zero:char -> ?one:char -> string -> t
(** Read from a string with the ++-- notation *)
val of_string_mp : string -> t
(** int64 conversion functions *)
val of_int64 : int64 -> t
val to_int64 : t -> int64
val of_int64_list : int64 list -> t
val of_int64_array : int64 array -> t
val to_int64_list : t -> int64 list
val to_int64_array : t -> int64 array
(** Get the number of needed int64 elements to encode the bit list *)
val n_int_of_mo_num : int -> Qptypes.N_int_number.t
(** Conversion to MO numbers *)
val to_mo_number_list : t -> Qptypes.MO_number.t list
val of_mo_number_list :
Qptypes.N_int_number.t -> Qptypes.MO_number.t list -> t
(** Logical operators *)
val and_operator : t -> t -> t
val xor_operator : t -> t -> t
val or_operator : t -> t -> t
val not_operator : t -> t
(** Count the number of bits set to one *)
val popcnt : t -> int