LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-30 23:25:39 +01:00
Code Releases Activity

Removed some debug printing. #143.

Browse Source
This commit is contained in:
v1j4y 2021-02-06 10:04:32 +01:00
parent 1a17f44020
commit 7369ca9473
2 changed files with 8 additions and 8 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

8
src/determinants/configuration_CI_sigma_helpers.irp.f
View File

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

8
src/determinants/configuration_CI_sigma_helpers.org
View File

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