From c6886056b373ee7f9b116c36a7e70ea3d5f7833f Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 2 Mar 2015 10:36:22 +0100 Subject: [PATCH] Bitmasks documentation --- src/Bitmask/bitmasks_routines.irp.f | 32 ++++++++++++++++------------- 1 file changed, 18 insertions(+), 14 deletions(-) diff --git a/src/Bitmask/bitmasks_routines.irp.f b/src/Bitmask/bitmasks_routines.irp.f index e1ff3ee5..8694f93f 100644 --- a/src/Bitmask/bitmasks_routines.irp.f +++ b/src/Bitmask/bitmasks_routines.irp.f @@ -29,6 +29,10 @@ end subroutine list_to_bitstring( string, list, n_elements, Nint) use bitmasks 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(bit_kind), intent(out) :: string(Nint) 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 :: 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 ==> @@ -120,26 +120,30 @@ end subroutine debug_det(string,Nint) use bitmasks implicit none - integer, intent(in) :: Nint - integer(bit_kind), intent(in) :: string(Nint,2) - character*(512) :: output(2) + BEGIN_DOC + ! Subroutine to print the content of a determinant in '+-' notation and + ! hexadecimal representation. + END_DOC + integer, intent(in) :: Nint + integer(bit_kind), intent(in) :: string(Nint,2) + character*(512) :: output(2) call bitstring_to_hexa( output(1), string(1,1), Nint ) call bitstring_to_hexa( output(2), string(1,2), Nint ) print *, trim(output(1)) , '|', trim(output(2)) - call bitstring_to_str( output(1), string(1,1), Nint ) - call bitstring_to_str( output(2), string(1,2), Nint ) - print *, trim(output(1)) - print *, trim(output(2)) + call print_det(string,Nint) end subroutine print_det(string,Nint) use bitmasks implicit none - integer, intent(in) :: Nint - integer(bit_kind), intent(in) :: string(Nint,2) - character*(512) :: output(2) + BEGIN_DOC + ! Subroutine to print the content of a determinant using the '+-' notation + END_DOC + integer, intent(in) :: Nint + integer(bit_kind), intent(in) :: string(Nint,2) + character*(512) :: output(2) call bitstring_to_str( output(1), string(1,1), Nint ) call bitstring_to_str( output(2), string(1,2), Nint )