diff --git a/src/Bitmask/bitmasks.irp.f b/src/Bitmask/bitmasks.irp.f index 1eae713c..01657a53 100644 --- a/src/Bitmask/bitmasks.irp.f +++ b/src/Bitmask/bitmasks.irp.f @@ -100,14 +100,23 @@ END_PROVIDER BEGIN_PROVIDER [ integer(bit_kind), generators_bitmask, (N_int,2,6,N_generators_bitmask) ] implicit none BEGIN_DOC - ! Bitmasks for generator determinants. (N_int, alpha/beta, hole/particle, generator). + ! Bitmasks for generator determinants. + ! (N_int, alpha/beta, hole/particle, generator). + ! ! 3rd index is : + ! ! * 1 : hole for single exc + ! ! * 2 : particle for single exc + ! ! * 3 : hole for 1st exc of double + ! ! * 4 : particle for 1st exc of double - ! * 5 : hole for 2dn exc of double - ! * 6 : particle for 2dn exc of double + ! + ! * 5 : hole for 2nd exc of double + ! + ! * 6 : particle for 2nd exc of double + ! END_DOC logical :: exists PROVIDE ezfio_filename diff --git a/src/Bitmask/bitmasks_routines.irp.f b/src/Bitmask/bitmasks_routines.irp.f index 700d9a17..e1ff3ee5 100644 --- a/src/Bitmask/bitmasks_routines.irp.f +++ b/src/Bitmask/bitmasks_routines.irp.f @@ -38,15 +38,18 @@ subroutine list_to_bitstring( string, list, n_elements, Nint) integer :: i, j integer :: ipos, iint BEGIN_DOC - ! return the physical string "string(N_int,2)" from the array of occupations "list(N_int*bit_kind_size,2) - ! list + ! Returnd the physical string "string(N_int,2)" from the array of + ! occupations "list(N_int*bit_kind_size,2) + END_DOC + + ! ! <== ipos ==> ! | ! v !string :|------------------------|-------------------------|------------------------| ! <==== bit_kind_size ====> <==== bit_kind_size ====> <==== bit_kind_size ====> ! { iint } { iint } { iint } - END_DOC + ! string = 0_bit_kind