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mirror of https://github.com/LCPQ/quantum_package synced 2024-06-22 05:02:15 +02:00
This commit is contained in:
Anthony Scemama 2015-10-17 16:19:50 +02:00
parent efe8cbe28d
commit adbfd7c90e

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@ -74,8 +74,8 @@ subroutine $subroutine_diexcP(key_in, fs1, fh1, particl_1, fs2, fh2, particl_2,
integer :: n_minilist, n_alpha, n_beta, deg(2), i, ni
$declarations
p1_mask(:,:) = 0
p2_mask(:,:) = 0
p1_mask(:,:) = 0_bit_kind
p2_mask(:,:) = 0_bit_kind
p1_mask(fh1/bit_kind_size + 1, fs1) = 2**(mod(fh1-1,bit_kind_size))
p2_mask(fh2/bit_kind_size + 1, fs2) = 2**(mod(fh2-1,bit_kind_size))
@ -84,7 +84,7 @@ subroutine $subroutine_diexcP(key_in, fs1, fh1, particl_1, fs2, fh2, particl_2,
key_mask(:,:) = key_in(:,:)
key_mask(fh1/bit_kind_size + 1, fs1) -= 2**(mod(fh1-1,bit_kind_size))
key_mask(fh2/bit_kind_size + 1, fs2) -= 2**(mod(fh2-1,bit_kind_size))
!
! do i=1,N_int
! n_alpha = n_alpha + popcnt(key_mask(i, 1))
! n_beta = n_beta + popcnt(key_mask(i, 2))
@ -407,7 +407,7 @@ subroutine $subroutine_monoexc(key_in, hole_1,particl_1,i_generator,iproc_in $pa
logical :: check_double_excitation
key_mask(:,:) = 0_8
key_mask(:,:) = 0_bit_kind
iproc = iproc_in