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Fixed act_bitmask.

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v1j4y 2022-12-15 18:54:47 +01:00
parent 5622b9790d
commit bb0c3e391c
1 changed files with 2 additions and 2 deletions
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4
src/csf/configuration_CI_sigma_helpers.irp.f
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@ -875,7 +875,7 @@ use bitmasks
ndiffDOMO = 0 ndiffDOMO = 0
nxordiffSOMODOMO = 0 nxordiffSOMODOMO = 0
do ii=1,N_int do ii=1,N_int
diffDOMO = IEOR(Icfg(ii,2),iand(act_bitmask(ii,1),psi_configuration(ii,2,k))) diffDOMO = IEOR(Icfg(ii,2),iand(act_bitmask(ii,2),psi_configuration(ii,2,k)))
xordiffSOMODOMO = IEOR(diffSOMO,diffDOMO) xordiffSOMODOMO = IEOR(diffSOMO,diffDOMO)
ndiffDOMO += POPCNT(diffDOMO) ndiffDOMO += POPCNT(diffDOMO)
nxordiffSOMODOMO += POPCNT(xordiffSOMODOMO) nxordiffSOMODOMO += POPCNT(xordiffSOMODOMO)
@ -1221,7 +1221,7 @@ END_PROVIDER
ndiffDOMO = 0 ndiffDOMO = 0
nxordiffSOMODOMO = 0 nxordiffSOMODOMO = 0
do ii=1,N_int do ii=1,N_int
diffDOMO = IEOR(Icfg(ii,2),iand(act_bitmask(ii,1),psi_configuration(ii,2,k))) diffDOMO = IEOR(Icfg(ii,2),iand(act_bitmask(ii,2),psi_configuration(ii,2,k)))
xordiffSOMODOMO = IEOR(diffSOMO,diffDOMO) xordiffSOMODOMO = IEOR(diffSOMO,diffDOMO)
ndiffDOMO += POPCNT(diffDOMO) ndiffDOMO += POPCNT(diffDOMO)
nxordiffSOMODOMO += POPCNT(xordiffSOMODOMO) nxordiffSOMODOMO += POPCNT(xordiffSOMODOMO)