diff --git a/src/Determinants/H_apply.template.f b/src/Determinants/H_apply.template.f index 00d82996..3d1de6b5 100644 --- a/src/Determinants/H_apply.template.f +++ b/src/Determinants/H_apply.template.f @@ -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