Merge pull request dftbplus#1465 from bhourahine/minorCommentFormat

Minor comment formatting
awvwgk · May 21, 2024 · 91759e1 · 91759e1
2 parents 1ab3e50 + a2754c8
commit 91759e1
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Showing 2 changed files with 22 additions and 21 deletions.
diff --git a/src/dftbp/api/mm/capi.F90 b/src/dftbp/api/mm/capi.F90
@@ -14,7 +14,8 @@ module dftbp_capi
   use dftbp_common_globalenv, only : instanceSafeBuild
   use dftbp_dftbplus_qdepextpotgenc, only :&
       & getExtPotIfaceC, getExtPotGradIfaceC, TQDepExtPotGenC, TQDepExtPotGenC_init
-  use dftbp_mmapi, only : TDftbPlus, TDftbPlus_init, TDftbPlus_destruct, TDftbPlusInput, TDftbPlusAtomList
+  use dftbp_mmapi, only : TDftbPlus, TDftbPlus_init, TDftbPlus_destruct, TDftbPlusInput,&
+      & TDftbPlusAtomList
   use dftbp_type_linkedlist, only : TListString, append, init, destruct
   implicit none
   private

diff --git a/src/dftbp/api/mm/mmapi.F90 b/src/dftbp/api/mm/mmapi.F90
@@ -307,12 +307,12 @@ end subroutine TDftbPlusAtomList_addToInpData
 
 
   !> Initialises a DFTB+ instance
-  !>
-  !> Note: due to some remaining global variables in the DFTB+ core, only one instance can be
-  !> initialised within one process. Therefore, this routine can not be called twice, unless the
-  !> TDftbPlus_destruct() has been called in between the inits (or the instance had already been finalized).
-  !> Otherwise the subroutine will stop.
-  !>
+  !!
+  !! Note: due to some remaining global variables in the DFTB+ core, only one instance can be
+  !! initialised within one process. Therefore, this routine can not be called twice, unless the
+  !! TDftbPlus_destruct() has been called in between the inits (or the instance had already been
+  !! finalized).  Otherwise the subroutine will stop.
+  !!
   subroutine TDftbPlus_init(this, outputUnit, mpiComm, devNull)
 
     !> Instance
@@ -330,15 +330,15 @@ subroutine TDftbPlus_init(this, outputUnit, mpiComm, devNull)
 
     integer :: stdOut
 
-    #:if not INSTANCE_SAFE_BUILD
-      if (nInstance_ /= 0) then
-        call error("This build does not support multiple DFTB+ instances")
-      end if
-      nInstance_ = 1
-    #:endif
+  #:if not INSTANCE_SAFE_BUILD
+    if (nInstance_ /= 0) then
+      call error("This build does not support multiple DFTB+ instances")
+    end if
+    nInstance_ = 1
+  #:endif
 
     if (present(mpiComm) .and. .not. withMpi) then
-      call error("MPI Communicator supplied to initialise serial DFTB+ instance")
+      call error("MPI Communicator supplied to initialise a serial DFTB+ instance")
     end if
 
     if (present(outputUnit)) then
@@ -634,9 +634,9 @@ end subroutine TDftbPlus_getStressTensor
 
 
   !> Returns the gradients on the external charges.
-  !>
-  !> This function may only be called if TDftbPlus_setExternalCharges was called before it
-  !>
+  !!
+  !! This function may only be called if TDftbPlus_setExternalCharges was called before it
+  !!
   subroutine TDftbPlus_getExtChargeGradients(this, gradients)
 
     !> Instance
@@ -865,10 +865,10 @@ end subroutine TDftbPlus_checkInit
 
 
   !> Reads out the atomic angular momenta from an SK-file
-  !>
-  !> NOTE: This only works with handcrafted (non-standard) SK-files, where the nr. of shells
-  !>   has been added as 3rd entry to the first line of the homo-nuclear SK-files.
-  !>
+  !!
+  !! NOTE: This only works with handcrafted (non-standard) SK-files, where the nr. of shells
+  !!   has been added as 3rd entry to the first line of the homo-nuclear SK-files.
+  !!
   function getMaxAngFromSlakoFile(slakoFile) result(maxAng)
 
     !> Instance.