Fix source formatting and name spelling (dftbplus#1356)

src/dftbp/dftbplus/initprogram.F90

@@ -1552,8 +1552,6 @@ subroutine initProgramVariables(this, input, env)
       allocate(this%speciesMass(this%nType))
       this%speciesMass(:) = input%slako%mass(:)
     case(hamiltonianTypes%xtb)
-      ! TODO
-      ! call error("xTB calculation currently not supported")
       allocate(this%speciesMass(this%nType))
       this%speciesMass(:) = getAtomicMass(this%speciesName)
     end select
@@ -1600,8 +1598,6 @@ subroutine initProgramVariables(this, input, env)
         this%cutOff%mCutOff = max(this%cutOff%mCutOff, this%repulsive%getRCutOff())
       end if
     case(hamiltonianTypes%xtb)
-      ! TODO
-      ! call error("xTB calculation currently not supported")
       this%cutOff%skCutoff = this%tblite%getRCutoff()
       this%cutOff%mCutoff = this%cutOff%skCutoff
     end select
@@ -2527,8 +2523,8 @@ subroutine initProgramVariables(this, input, env)
         call error("PP-RPA does not support ${ERR}$")
       end if
     #:endfor
-    #:for VAR, ERR in [("tShellResolved","shell resolved hamiltonians"),&
-      & ("tDampH","H damping")]
+    #:for VAR, ERR in [("tShellResolved", "shell resolved hamiltonians"),&
+      & ("tDampH", "H damping")]
       if (input%ctrl%${VAR}$) then
         call error("PP-RPA does not support ${ERR}$")
       end if
@@ -4611,8 +4607,7 @@ subroutine initHubbardUs_(input, orb, hamiltonianType, hubbU)
       @:ASSERT(size(input%slako%skHubbU, dim=2) == nSpecies)
       hubbU(:,:) = input%slako%skHubbU(1:orb%mShell, :)
     case(hamiltonianTypes%xtb)
-      ! TODO
-      ! call error("xTB calculation currently not supported")
+      ! handled elsewhere
     end select
 
     if (allocated(input%ctrl%hubbU)) then

src/dftbp/timedep/linrespcommon.F90

@@ -405,7 +405,7 @@ end subroutine getSqrOcc
   !> (spin polarized case) or \Omega^{S/T}_ia,jb * v_jb (singlet/triplet)
   !>
   !> For the standard RPA, (A+B)_ias,jbt * v_jbt needs to be computed (similar for singlet/triplet)
-  !> (see definitions in Marc Casida, in Recent Advances in Density Functional Methods,
+  !> (see definitions in Mark Casida, in Recent Advances in Density Functional Methods,
   !>  World Scientific, 1995, Part I, p. 155.)
   !> Note: we actually compute sqrt(n_is-n_as) (A+B)_ias,jbt sqrt(n_jt-n_bt), with the
   !> occupations n_is, correct for finite T.
@@ -538,8 +538,7 @@ subroutine actionAplusB(spin, wij, sym, win, nocc_ud, nvir_ud, nxoo_ud, nxvv_ud,
 
     ! product charges with the v*wn product, i.e. Q * v*wn
     oTmp(:) = 0.0_dp
-    call transChrg%qMatVec(iAtomStart, ovrXev, grndEigVecs, getIA, win, &
-        & vTmp * sqrOccIA, oTmp)
+    call transChrg%qMatVec(iAtomStart, ovrXev, grndEigVecs, getIA, win, vTmp * sqrOccIA, oTmp)
 
     if (.not.spin) then !-----------spin-unpolarized systems--------------
 
@@ -693,7 +692,7 @@ end subroutine actionAplusB
 
   !> Multiplies the excitation supermatrix with a supervector.
   !> (A-B)_ias,jbt * v_jbt is computed (and similar for singlet/triplet)
-  !> (see definitions in Marc Casida, in Recent Advances in Density Functional Methods,
+  !> (see definitions in Mark Casida, in Recent Advances in Density Functional Methods,
   !>  World Scientific, 1995, Part I, p. 155.)
   !> See also Dominguez JCTC 9 4901 (2013), Kranz JCTC 13 1737 (2017) for DFTB specifics.
   subroutine actionAminusB(spin, wij, win, nocc_ud, nvir_ud, nxoo_ud, nxvv_ud, nxov_ud, nxov_rd,&