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Bitmasks documentation

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Anthony Scemama 2015-03-02 10:36:22 +01:00
parent 7a71170f5f
commit c6886056b3
1 changed files with 18 additions and 14 deletions
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20
src/Bitmask/bitmasks_routines.irp.f
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@ -29,6 +29,10 @@ end
subroutine list_to_bitstring( string, list, n_elements, Nint) subroutine list_to_bitstring( string, list, n_elements, Nint)
use bitmasks use bitmasks
implicit none implicit none
BEGIN_DOC
! Returns the physical string "string(N_int,2)" from the array of
! occupations "list(N_int*bit_kind_size,2)
END_DOC
integer, intent(in) :: Nint integer, intent(in) :: Nint
integer(bit_kind), intent(out) :: string(Nint) integer(bit_kind), intent(out) :: string(Nint)
integer, intent(in) :: list(Nint*bit_kind_size) integer, intent(in) :: list(Nint*bit_kind_size)
@ -37,10 +41,6 @@ subroutine list_to_bitstring( string, list, n_elements, Nint)
integer :: i, j integer :: i, j
integer :: ipos, iint integer :: ipos, iint
BEGIN_DOC
! Returnd the physical string "string(N_int,2)" from the array of
! occupations "list(N_int*bit_kind_size,2)
END_DOC
! !
! <== ipos ==> ! <== ipos ==>
@ -120,6 +120,10 @@ end
subroutine debug_det(string,Nint) subroutine debug_det(string,Nint)
use bitmasks use bitmasks
implicit none implicit none
BEGIN_DOC
! Subroutine to print the content of a determinant in '+-' notation and
! hexadecimal representation.
END_DOC
integer, intent(in) :: Nint integer, intent(in) :: Nint
integer(bit_kind), intent(in) :: string(Nint,2) integer(bit_kind), intent(in) :: string(Nint,2)
character*(512) :: output(2) character*(512) :: output(2)
@ -127,16 +131,16 @@ subroutine debug_det(string,Nint)
call bitstring_to_hexa( output(2), string(1,2), Nint ) call bitstring_to_hexa( output(2), string(1,2), Nint )
print *, trim(output(1)) , '|', trim(output(2)) print *, trim(output(1)) , '|', trim(output(2))
call bitstring_to_str( output(1), string(1,1), Nint ) call print_det(string,Nint)
call bitstring_to_str( output(2), string(1,2), Nint )
print *, trim(output(1))
print *, trim(output(2))
end end
subroutine print_det(string,Nint) subroutine print_det(string,Nint)
use bitmasks use bitmasks
implicit none implicit none
BEGIN_DOC
! Subroutine to print the content of a determinant using the '+-' notation
END_DOC
integer, intent(in) :: Nint integer, intent(in) :: Nint
integer(bit_kind), intent(in) :: string(Nint,2) integer(bit_kind), intent(in) :: string(Nint,2)
character*(512) :: output(2) character*(512) :: output(2)