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change 1->2 for beta electron part of cas bitmask

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Kevin Gasperich 2018-05-22 15:37:59 -05:00 committed by GitHub
parent bfb0c8732c
commit 1eb1e49b60
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1 changed files with 1 additions and 1 deletions
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src/Bitmask/bitmasks.irp.f
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@ -559,7 +559,7 @@ END_PROVIDER
n_core_inact_act_orb = 0
do i = 1, N_int
reunion_of_core_inact_act_bitmask(i,1) = ior(reunion_of_core_inact_bitmask(i,1),cas_bitmask(i,1,1))
reunion_of_core_inact_act_bitmask(i,2) = ior(reunion_of_core_inact_bitmask(i,2),cas_bitmask(i,1,1))
reunion_of_core_inact_act_bitmask(i,2) = ior(reunion_of_core_inact_bitmask(i,2),cas_bitmask(i,2,1))
n_core_inact_act_orb +=popcnt(reunion_of_core_inact_act_bitmask(i,1))
enddo
END_PROVIDER