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fixed AO/MO mistake in bitmask

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This commit is contained in:
Kevin Gasperich 2020-03-27 11:29:24 -05:00
parent f17b36c3e4
commit 4a31254d6b
1 changed files with 1 additions and 1 deletions
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2
src/bitmask/bitmasks.irp.f
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@ -85,7 +85,7 @@ BEGIN_PROVIDER [ integer(bit_kind), HF_bitmask, (N_int,2)]
kpt=1 kpt=1
korb=1 korb=1
do i=1,elec_alpha_num do i=1,elec_alpha_num
occ(i) = korb + (kpt-1) * ao_num_per_kpt occ(i) = korb + (kpt-1) * mo_num_per_kpt
kpt += 1 kpt += 1
if (kpt > kpt_num) then if (kpt > kpt_num) then
kpt = 1 kpt = 1