mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-24 21:41:46 +02:00
Merge branch 'master' of github.com:scemama/quantum_package
This commit is contained in:
commit
458bda7ee0
@ -40,18 +40,28 @@ let () =
|
||||
in
|
||||
|
||||
let overlap wf wf' =
|
||||
let result, norm, norm' =
|
||||
Hashtbl.fold (fun k c (accu,norm,norm') ->
|
||||
let norm =
|
||||
Hashtbl.fold (fun k c norm ->
|
||||
norm +. c *. c ) wf 0.
|
||||
and norm' =
|
||||
Hashtbl.fold (fun k c norm ->
|
||||
norm +. c *. c ) wf' 0.
|
||||
in
|
||||
let get_result wf wf' =
|
||||
Hashtbl.fold (fun k c accu ->
|
||||
let c' =
|
||||
try Hashtbl.find wf' k
|
||||
with Not_found -> 0.
|
||||
in
|
||||
(accu +. c *. c' ,
|
||||
norm +. c *. c ,
|
||||
norm'+. c'*. c' )
|
||||
) wf (0.,0.,0.)
|
||||
accu +. c *. c' ) wf 0.
|
||||
in
|
||||
result /. (norm *. norm')
|
||||
let result =
|
||||
if Hashtbl.length wf < Hashtbl.length wf' then
|
||||
get_result wf wf'
|
||||
else
|
||||
get_result wf' wf
|
||||
in
|
||||
result /. (sqrt (norm *. norm'))
|
||||
in
|
||||
|
||||
let wf, wf' =
|
||||
@ -62,5 +72,6 @@ let () =
|
||||
let o =
|
||||
overlap wf wf'
|
||||
in
|
||||
print_float (abs_float o)
|
||||
print_float (abs_float o);
|
||||
print_newline ()
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user