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Removed some debug printing. #143.
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@ -272,7 +272,7 @@ subroutine obtain_connected_I_foralpha(idxI, Ialpha, connectedI, nconnectedI, ex
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diffDOMO = IEOR(Idomo,Jdomo)
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diffDOMO = IEOR(Idomo,Jdomo)
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ndiffSOMO = POPCNT(diffSOMO)
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ndiffSOMO = POPCNT(diffSOMO)
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ndiffDOMO = POPCNT(diffDOMO)
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ndiffDOMO = POPCNT(diffDOMO)
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if((ndiffSOMO + ndiffDOMO) .EQ. 0) cycle
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!if((ndiffSOMO + ndiffDOMO) .EQ. 0) cycle
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!print *,"-I--i=",i,Isomo,Jsomo,ndiffSOMO,ndiffDOMO
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!print *,"-I--i=",i,Isomo,Jsomo,ndiffSOMO,ndiffDOMO
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if(POPCNT(IEOR(diffSOMO,diffDOMO)) .LE. 1 .AND. ndiffDOMO .LT. 3) then
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if(POPCNT(IEOR(diffSOMO,diffDOMO)) .LE. 1 .AND. ndiffDOMO .LT. 3) then
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nconnectedI += 1
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nconnectedI += 1
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@ -322,7 +322,7 @@ subroutine obtain_connected_I_foralpha(idxI, Ialpha, connectedI, nconnectedI, ex
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end select
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end select
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excitationIds(1,nconnectedI)=p
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excitationIds(1,nconnectedI)=p
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excitationIds(2,nconnectedI)=q
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excitationIds(2,nconnectedI)=q
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print *,"------ > output p,q in obt=",p,q
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!print *,"------ > output p,q in obt=",p,q
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endif
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endif
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end do
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end do
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@ -376,7 +376,7 @@ subroutine convertOrbIdsToModelSpaceIds(Ialpha, Jcfg, p, q, extype, pmodel, qmod
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pos0prev = 0
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pos0prev = 0
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pmodel = p
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pmodel = p
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qmodel = q
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qmodel = q
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print *,"input pq=",p,q,"extype=",extype
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!print *,"input pq=",p,q,"extype=",extype
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!call debug_spindet(Isomo,1)
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!call debug_spindet(Isomo,1)
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!call debug_spindet(Idomo,1)
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!call debug_spindet(Idomo,1)
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!call debug_spindet(Jsomo,1)
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!call debug_spindet(Jsomo,1)
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@ -426,5 +426,5 @@ subroutine convertOrbIdsToModelSpaceIds(Ialpha, Jcfg, p, q, extype, pmodel, qmod
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case default
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case default
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print *,"something is wrong in convertOrbIdsToModelSpaceIds"
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print *,"something is wrong in convertOrbIdsToModelSpaceIds"
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end select
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end select
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print *,p,q,"model ids=",pmodel,qmodel
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!print *,p,q,"model ids=",pmodel,qmodel
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end subroutine convertOrbIdsToModelSpaceIds
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end subroutine convertOrbIdsToModelSpaceIds
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@ -297,7 +297,7 @@ subroutine obtain_connected_I_foralpha(idxI, Ialpha, connectedI, nconnectedI, ex
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diffDOMO = IEOR(Idomo,Jdomo)
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diffDOMO = IEOR(Idomo,Jdomo)
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ndiffSOMO = POPCNT(diffSOMO)
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ndiffSOMO = POPCNT(diffSOMO)
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ndiffDOMO = POPCNT(diffDOMO)
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ndiffDOMO = POPCNT(diffDOMO)
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if((ndiffSOMO + ndiffDOMO) .EQ. 0) cycle
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!if((ndiffSOMO + ndiffDOMO) .EQ. 0) cycle
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!print *,"-I--i=",i,Isomo,Jsomo,ndiffSOMO,ndiffDOMO
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!print *,"-I--i=",i,Isomo,Jsomo,ndiffSOMO,ndiffDOMO
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if(POPCNT(IEOR(diffSOMO,diffDOMO)) .LE. 1 .AND. ndiffDOMO .LT. 3) then
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if(POPCNT(IEOR(diffSOMO,diffDOMO)) .LE. 1 .AND. ndiffDOMO .LT. 3) then
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nconnectedI += 1
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nconnectedI += 1
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@ -347,7 +347,7 @@ subroutine obtain_connected_I_foralpha(idxI, Ialpha, connectedI, nconnectedI, ex
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end select
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end select
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excitationIds(1,nconnectedI)=p
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excitationIds(1,nconnectedI)=p
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excitationIds(2,nconnectedI)=q
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excitationIds(2,nconnectedI)=q
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print *,"------ > output p,q in obt=",p,q
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!print *,"------ > output p,q in obt=",p,q
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endif
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endif
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end do
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end do
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@ -424,7 +424,7 @@ subroutine convertOrbIdsToModelSpaceIds(Ialpha, Jcfg, p, q, extype, pmodel, qmod
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pos0prev = 0
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pos0prev = 0
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pmodel = p
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pmodel = p
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qmodel = q
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qmodel = q
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print *,"input pq=",p,q,"extype=",extype
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!print *,"input pq=",p,q,"extype=",extype
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!call debug_spindet(Isomo,1)
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!call debug_spindet(Isomo,1)
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!call debug_spindet(Idomo,1)
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!call debug_spindet(Idomo,1)
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!call debug_spindet(Jsomo,1)
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!call debug_spindet(Jsomo,1)
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@ -474,7 +474,7 @@ subroutine convertOrbIdsToModelSpaceIds(Ialpha, Jcfg, p, q, extype, pmodel, qmod
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case default
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case default
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print *,"something is wrong in convertOrbIdsToModelSpaceIds"
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print *,"something is wrong in convertOrbIdsToModelSpaceIds"
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end select
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end select
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print *,p,q,"model ids=",pmodel,qmodel
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!print *,p,q,"model ids=",pmodel,qmodel
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end subroutine convertOrbIdsToModelSpaceIds
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end subroutine convertOrbIdsToModelSpaceIds
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#+end_src
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#+end_src
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