Skip to content

Commit

Permalink
Clean some source code.
Browse files Browse the repository at this point in the history
  • Loading branch information
ishimura committed Dec 29, 2020
1 parent b82f7e6 commit 638c7a3
Show file tree
Hide file tree
Showing 3 changed files with 10 additions and 9 deletions.
11 changes: 6 additions & 5 deletions src/int1.F90
Original file line number Diff line number Diff line change
Expand Up @@ -582,10 +582,10 @@ subroutine ghquadd(xyzint,expgh,xyzpijk,iang,jang,kang)
!end


!-----------------------------------------------------------------
!----------------------------------------------------------------
subroutine int1cmd(cint,exij,coij,coordij,coord,znuc,natom, &
& nprimij,nangij,nbfij,len1,mxprsh,threshex)
!-----------------------------------------------------------------
!----------------------------------------------------------------
!
! Driver of 1-electron Coulomb integrals (j|Z/r|i) using McMurchie-Davidson method
!
Expand Down Expand Up @@ -2150,9 +2150,10 @@ subroutine intdipole(dipint,exij,coij,coordijk,nprimij,nangij,nbfij,len1,mxprsh,
end


!-------------------------------------------------------------------------------------------
subroutine calcmatoctupole(dipmat,quadpmat,octpmat,work,dipcenter,nproc,myrank,mpi_comm,datajob,datamol,databasis)
!-------------------------------------------------------------------------------------------
!---------------------------------------------------------------------------------------------
subroutine calcmatoctupole(dipmat,quadpmat,octpmat,work,dipcenter,nproc,myrank,mpi_comm, &
& datajob,datamol,databasis)
!---------------------------------------------------------------------------------------------
!
! Driver of dipole, quadrupole, and octupole moment matrix calculation
!
Expand Down
4 changes: 2 additions & 2 deletions src/machine.F90
Original file line number Diff line number Diff line change
Expand Up @@ -171,9 +171,9 @@ subroutine opencheckfile(datajob,datacomp)
end


!--------------------------------------------
!--------------------------------------
subroutine closecheckfile(datacomp)
!--------------------------------------------
!--------------------------------------
!
! Close checkpoint file
!
Expand Down
4 changes: 2 additions & 2 deletions src/scf.F90
Original file line number Diff line number Diff line change
Expand Up @@ -12,10 +12,10 @@
! See the License for the specific language governing permissions and
! limitations under the License.
!
!------------------------------------------------------------------
!-----------------------------------------------------------------------
subroutine calcrhf(h1mtrx,cmo,fock,ortho,overlap,dmtrx,xint,eigen, &
& datajob,datamol,databasis,datacomp)
!------------------------------------------------------------------
!-----------------------------------------------------------------------
!
! Driver of restricted Hartree-Fock calculation
!
Expand Down

0 comments on commit 638c7a3

Please sign in to comment.