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Code Issues Releases Wiki Activity

Memory bug in Davidson corrected

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This commit is contained in:
Anthony Scemama 2015-11-17 23:57:55 +01:00
parent d56c9dcb0f
commit 74bb562f40
1 changed files with 9 additions and 7 deletions
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16
src/Determinants/davidson.irp.f
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@ -135,19 +135,19 @@ end subroutine
subroutine sort_dets_ba_v(key_in, key_out, idx, shortcut, version, N_key, Nint)
use bitmasks
implicit none
BEGIN_DOC
! Uncodumented : TODO
END_DOC
integer, intent(in) :: Nint, N_key
integer(bit_kind),intent(in) :: key_in(Nint,2,N_key)
integer(bit_kind) :: key(Nint,2,N_key)
integer(bit_kind),intent(out) :: key_out(Nint,N_key)
integer,intent(out) :: idx(N_key)
integer,intent(out) :: shortcut(0:N_key+1)
integer(bit_kind),intent(out) :: version(Nint,N_key+1)
integer(bit_kind) :: tmp(Nint, 2,N_key)
integer(bit_kind), allocatable :: key(:,:,:)
integer :: i,ni
BEGIN_DOC
! Uncodumented : TODO
END_DOC
allocate ( key(Nint,2,N_key) )
do i=1,N_key
do ni=1,Nint
key(ni,1,i) = key_in(ni,2,i)
@ -155,8 +155,8 @@ subroutine sort_dets_ba_v(key_in, key_out, idx, shortcut, version, N_key, Nint)
enddo
enddo
call sort_dets_ab_v(key, key_out, idx, shortcut, version, N_key, Nint)
deallocate ( key )
end subroutine
@ -170,14 +170,15 @@ subroutine sort_dets_ab_v(key_in, key_out, idx, shortcut, version, N_key, Nint)
END_DOC
integer, intent(in) :: Nint, N_key
integer(bit_kind),intent(in) :: key_in(Nint,2,N_key)
integer(bit_kind) :: key(Nint,2,N_key)
integer(bit_kind),intent(out) :: key_out(Nint,N_key)
integer,intent(out) :: idx(N_key)
integer,intent(out) :: shortcut(0:N_key+1)
integer(bit_kind),intent(out) :: version(Nint,N_key+1)
integer(bit_kind), allocatable :: key(:,:,:)
integer(bit_kind) :: tmp(Nint, 2)
integer :: tmpidx,i,ni
allocate (key(Nint,2,N_key))
do i=1,N_key
do ni=1,Nint
key(ni,1,i) = key_in(ni,1,i)
@ -226,6 +227,7 @@ subroutine sort_dets_ab_v(key_in, key_out, idx, shortcut, version, N_key, Nint)
key_out(ni,i) = key(ni,2,i)
enddo
enddo
deallocate (key)
end subroutine