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delete unwanted commented lines
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vtripath65 committed Nov 15, 2024
1 parent 2d0c48f commit 8612b60
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Showing 2 changed files with 0 additions and 16 deletions.
1 change: 0 additions & 1 deletion src/modules/quick_method_module.f90
Original file line number Diff line number Diff line change
Expand Up @@ -543,7 +543,6 @@ subroutine read_quick_method(self,keywd,ierr)
if(found)then
dataFileName = keyWD(i:i+j-2)
endif
! self%iscf = 1
endif

call upcase(keyWD,300)
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15 changes: 0 additions & 15 deletions src/modules/quick_oeproperties_module.f90
Original file line number Diff line number Diff line change
Expand Up @@ -42,21 +42,6 @@ Subroutine compute_oeprop()
logical fail
integer ierr, nbasis

! if(quick_method%readPMat)then
! nbasis = quick_molspec%nbasis
! if(master)then
! open(unit=iDataFile,file=dataFileName,status='OLD',form='UNFORMATTED')
! call rchk_int(iDataFile, "nbasis", nbasis, fail)
! call rchk_darray(iDataFile, "dense", nbasis, nbasis, 1, quick_qm_struct%dense, fail)
! call rchk_darray(iDataFile, "denseSave", nbasis, nbasis, 1, quick_qm_struct%denseSave, fail)
! close(iDataFile)
! endif
!#ifdef MPIV
! call MPI_BCAST(quick_qm_struct%denseSave,nbasis*nbasis,mpi_double_precision,0,MPI_COMM_WORLD,mpierror)
! call MPI_BCAST(quick_qm_struct%dense,nbasis*nbasis,mpi_double_precision,0,MPI_COMM_WORLD,mpierror)
!#endif
! endif

if (quick_method%ext_grid) then
call compute_oeprop_grid(quick_molspec%nextpoint,quick_molspec%extpointxyz)
else if (quick_method%esp_charge) then
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