Capitalize various FORD comments (dftbplus#1583)

Author: vanderhe

src/dftbp/dftb/blockpothelper.F90

@@ -21,10 +21,10 @@ module dftbp_dftb_blockpothelper
   !> Adds block (dual) charges onto end of a 1D vector of reduced charges
   subroutine appendBlockReduced(input, equiv, orb, output, isSkew)
 
-    !> unpacked data
+    !> Unpacked data
     real(dp), intent(in) :: input(:,:,:,:)
 
-    !> equivalences
+    !> Equivalences
     integer, intent(in) :: equiv(:,:,:,:)
 
     !> Information about the orbitals and their angular momenta
@@ -33,7 +33,7 @@ subroutine appendBlockReduced(input, equiv, orb, output, isSkew)
     !> 1D array with appended data
     real(dp), intent(inout) :: output(:)
 
-    !> is skew symmetry required
+    !> Is skew symmetry required
     logical, optional, intent(in) :: isSkew
 
     integer :: nAtom, nSpin

src/dftbp/dftb/bondpopulations.F90

@@ -24,13 +24,13 @@ module dftbp_dftb_bondpopulations
   subroutine addPairWiseBondInfo(info, rhoPrim, sparseMat, iSquare, iNeighbour, nNeighbourSK,&
       & img2CentCell, iSparseStart)
 
-    !> pairwise contribution
+    !> Pairwise contribution
     real(dp), allocatable, intent(inout) :: info(:,:)
 
-    !> sparse density matrix (only spin-unpolarized)
+    !> Sparse density matrix (only spin-unpolarized)
     real(dp), intent(in) :: rhoPrim(:)
 
-    !> non-scc hamiltonian or overlap matrix in sparse format
+    !> Non-scc hamiltonian or overlap matrix in sparse format
     real(dp), intent(in) :: sparseMat(:)
 
     !> Index array for start of atomic block in dense matrices
@@ -42,10 +42,10 @@ subroutine addPairWiseBondInfo(info, rhoPrim, sparseMat, iSquare, iNeighbour, nN
     !> Number of neighbours for each of the atoms
     integer, intent(in) :: nNeighbourSK(:)
 
-    !> image atoms to their equivalent in the central cell
+    !> Image atoms to their equivalent in the central cell
     integer, intent(in) :: img2CentCell(:)
 
-    !> index array for location of atomic blocks in large sparse arrays
+    !> Index array for location of atomic blocks in large sparse arrays
     integer, intent(in) :: iSparseStart(0:,:)
 
     integer :: iAt1, iAt2, iAt2f, nOrb1, nOrb2, iOrig, iNeigh, iOrb1, iOrb2

src/dftbp/dftb/boundarycond.F90

@@ -95,7 +95,7 @@ end subroutine TBoundaryConditions_init
 
 #:for TYPE, LABEL in FLAVOURS
 
-  !> convert matrix elements from image to central cell atoms
+  !> Convert matrix elements from image to central cell atoms
   pure subroutine foldInDiatomicBlock_${LABEL}$(this, sqrBlock, iAt1, iAt2, coords, species,&
       & img2CentCell, orb)
 
@@ -120,7 +120,7 @@ pure subroutine foldInDiatomicBlock_${LABEL}$(this, sqrBlock, iAt1, iAt2, coords
     !> Map from images of atoms to central cell atoms
     integer, intent(in) :: img2CentCell(:)
 
-    !> data type for atomic orbital information
+    !> Data type for atomic orbital information
     type(TOrbitals), intent(in) :: orb
 
     integer :: iAt2f, iSp, iSh, nOrb1, nOrb2, lShellVals(orb%mShell)
@@ -155,7 +155,7 @@ pure subroutine foldInDiatomicBlock_${LABEL}$(this, sqrBlock, iAt1, iAt2, coords
   end subroutine foldInDiatomicBlock_${LABEL}$
 
 
-  !> convert matrix elements from central cell to image atoms
+  !> Convert matrix elements from central cell to image atoms
   pure subroutine foldOutDiatomicBlock_${LABEL}$(this, sqrBlock, iAt1, iAt2, coords, species,&
       & img2CentCell, orb)
 
@@ -180,7 +180,7 @@ pure subroutine foldOutDiatomicBlock_${LABEL}$(this, sqrBlock, iAt1, iAt2, coord
     !> Map from images of atoms to central cell atoms
     integer, intent(in) :: img2CentCell(:)
 
-    !> data type for atomic orbital information
+    !> Data type for atomic orbital information
     type(TOrbitals), intent(in) :: orb
 
     integer :: iAt2f, iSp, iSh, nOrb1, nOrb2, lShellVals(orb%mShell)
@@ -223,7 +223,7 @@ subroutine alignVectorCentralCell(this, vectors, coords, coords0, nAtom)
     !> Instance
     class(TBoundaryConditions), intent(in) :: this
 
-    !> vectors to transform
+    !> Vectors to transform
     real(dp), intent(inout) :: vectors(:,:)
 
     !> Coordinates in central/objective cell

src/dftbp/dftb/chargeconstr.F90

@@ -61,7 +61,7 @@ subroutine TChrgConstr_init(this, inp, kappa)
     !> Array containing reference charges and prefactors (nAtom, 2)
     real(dp), intent(in) :: inp(:,:)
 
-    !> exponent of the local potential to add
+    !> Exponent of the local potential to add
     integer, intent(in) :: kappa
 
     @:ASSERT(.not. this%tInit_)
@@ -80,7 +80,7 @@ subroutine TChrgConstr_init(this, inp, kappa)
   end subroutine TChrgConstr_init
 
 
-  !> build the shift (potential)
+  !> Build the shift (potential)
   subroutine buildShift(this, chargesPerAtom)
 
     !> Instance of a constraint

src/dftbp/dftb/charges.F90

@@ -73,13 +73,13 @@ subroutine getSummedCharges(species, orb, qOrbital, q0, dQ, dQAtom, dQShell)
   end subroutine getSummedCharges
 
 
-  !> orbital resolved charges
+  !> Orbital resolved charges
   pure subroutine getSummedChargesPerOrbital(qOrbital, q0, deltaQ)
 
-    !> charges per orbital
+    !> Charges per orbital
     real(dp), intent(in) :: qOrbital(:,:)
 
-    !> reference atomic charges
+    !> Reference atomic charges
     real(dp), intent(in) :: q0(:,:)
 
     !> Summed charges (q - q0)
@@ -90,33 +90,33 @@ pure subroutine getSummedChargesPerOrbital(qOrbital, q0, deltaQ)
   end subroutine getSummedChargesPerOrbital
 
 
-  !> atom resolved charges
+  !> Atom resolved charges
   subroutine getSummedChargesPerAtom(deltaQ, deltaQAtom)
 
-    !> gross charge for all atomic orbitals on atoms
+    !> Gross charge for all atomic orbitals on atoms
     real(dp), intent(in) :: deltaQ(:,:)
 
-    !> gross charge for each atom
+    !> Gross charge for each atom
     real(dp), intent(out) :: deltaQAtom(:)
 
     deltaQAtom(:) = sum(deltaQ, dim=1)
 
   end subroutine getSummedChargesPerAtom
 
 
-  !> shell resolved charges
+  !> Shell resolved charges
   subroutine getSummedChargesPerLShell(species, orb, deltaQ, deltaQPerLShell)
 
-    !> chemical species of each atom
+    !> Chemical species of each atom
     integer, intent(in) :: species(:)
 
-    !> species resolved atomic orbital information
+    !> Species resolved atomic orbital information
     type(TOrbitals), intent(in) :: orb
 
-    !> gross charge for each orbital
+    !> Gross charge for each orbital
     real(dp), intent(in) :: deltaQ(:,:)
 
-    !> gross charge for each atomic shell
+    !> Gross charge for each atomic shell
     real(dp), intent(out) :: deltaQPerLShell(:,:)
 
     integer :: iAt, iSp, iSh, iStart, iEnd
@@ -134,22 +134,22 @@ subroutine getSummedChargesPerLShell(species, orb, deltaQ, deltaQPerLShell)
   end subroutine getSummedChargesPerLShell
 
 
-  !> charges for regions with common U values
+  !> Charges for regions with common U values
   subroutine getSummedChargesPerUniqueU(species, orb, hubbU, deltaQPerLShell, deltaQUniqU)
 
-    !> chemical species of each atom
+    !> Chemical species of each atom
     integer, intent(in) :: species(:)
 
-    !> species resolved atomic orbital information
+    !> Species resolved atomic orbital information
     type(TOrbitals), intent(in) :: orb
 
     !> Contracted Hubbard U parameters
     type(TUniqueHubbard), intent(in) :: hubbU
 
-    !> charge per atomic shell
+    !> Charge per atomic shell
     real(dp), intent(in) :: deltaQPerLShell(:,:)
 
-    !> charges for atomic shells with a common U value
+    !> Charges for atomic shells with a common U value
     real(dp), intent(out) :: deltaQUniqU(:,:)
 
     call hubbU%sumOverUniqueU(deltaQPerLShell, species, orb, deltaQUniqU)