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Code Issues Releases Wiki Activity

Fixed full_ijkl_bitmask

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This commit is contained in:
Anthony Scemama 2018-08-07 18:02:58 +02:00
parent 9dd31d4190
commit 74e559c85a
2 changed files with 3 additions and 3 deletions
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4
src/Bitmask/bitmasks.irp.f
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@ -22,9 +22,9 @@ BEGIN_PROVIDER [ integer(bit_kind), full_ijkl_bitmask, (N_int) ]
END_DOC END_DOC
integer :: i,j,k integer :: i,j,k
full_ijkl_bitmask = 0_bit_kind
do j=1,N_int
k=0 k=0
do j=1,N_int
full_ijkl_bitmask(j) = 0_bit_kind
do i=0,bit_kind_size-1 do i=0,bit_kind_size-1
k=k+1 k=k+1
if (mo_class(k) /= 'Deleted') then if (mo_class(k) /= 'Deleted') then

2
src/Integrals_Bielec/mo_bi_integrals.irp.f
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@ -240,7 +240,7 @@ subroutine add_integrals_to_map(mask_ijkl)
call bitstring_to_list( mask_ijkl(1,3), list_ijkl(1,3), n_k, N_int ) call bitstring_to_list( mask_ijkl(1,3), list_ijkl(1,3), n_k, N_int )
call bitstring_to_list( mask_ijkl(1,4), list_ijkl(1,4), n_l, N_int ) call bitstring_to_list( mask_ijkl(1,4), list_ijkl(1,4), n_l, N_int )
character*(2048) :: output(1) character*(2048) :: output(1)
print*, 'i' print *, 'i'
call bitstring_to_str( output(1), mask_ijkl(1,1), N_int ) call bitstring_to_str( output(1), mask_ijkl(1,1), N_int )
print *, trim(output(1)) print *, trim(output(1))
j = 0 j = 0