mirror of
https://github.com/QuantumPackage/qp2.git
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* 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
41 lines
1.0 KiB
OCaml
41 lines
1.0 KiB
OCaml
type t
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(** The zero bit list *)
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val zero : Qptypes.N_int_number.t -> t
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(** Convert to a string for printing *)
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val to_string : t -> string
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(** Read from a string *)
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val of_string : ?zero:char -> ?one:char -> string -> t
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(** Read from a string with the ++-- notation *)
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val of_string_mp : string -> t
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(** int64 conversion functions *)
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val of_int64 : int64 -> t
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val to_int64 : t -> int64
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val of_int64_list : int64 list -> t
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val of_int64_array : int64 array -> t
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val to_int64_list : t -> int64 list
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val to_int64_array : t -> int64 array
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(** Get the number of needed int64 elements to encode the bit list *)
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val n_int_of_mo_num : int -> Qptypes.N_int_number.t
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(** Conversion to MO numbers *)
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val to_mo_number_list : t -> Qptypes.MO_number.t list
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val of_mo_number_list :
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Qptypes.N_int_number.t -> Qptypes.MO_number.t list -> t
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(** Logical operators *)
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val and_operator : t -> t -> t
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val xor_operator : t -> t -> t
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val or_operator : t -> t -> t
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val not_operator : t -> t
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(** Count the number of bits set to one *)
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val popcnt : t -> int
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