Fix random typos

[alexxy/gromacs.git] / src / gromacs / applied_forces / awh / biasstate.cpp

diff --git a/src/gromacs/applied_forces/awh/biasstate.cpp b/src/gromacs/applied_forces/awh/biasstate.cpp
index 3a43f29db1ff8993ba3d026d39ff3d46d8d70248..08fbd29a92d935581da766e491b2900dd9b7576d 100644 (file)
--- a/src/gromacs/applied_forces/awh/biasstate.cpp
+++ b/src/gromacs/applied_forces/awh/biasstate.cpp
@@ -124,7 +124,7 @@ void sumPmf(gmx::ArrayRef<PointState> pointState, int numSharedUpdate, const Bia
         buffer[i] = pointState[i].inTargetRegion() ? std::exp(pointState[i].logPmfSum()) : 0;
     }
 
-    biasSharing->sum(gmx::ArrayRef<double>(buffer), biasIndex);
+    biasSharing->sumOverSharingSimulations(gmx::ArrayRef<double>(buffer), biasIndex);
 
     /* Take log again to get (non-normalized) PMF */
     double normFac = 1.0 / numSharedUpdate;
@@ -671,7 +671,7 @@ void mergeSharedUpdateLists(std::vector<int>*  updateList,
     }
 
     /* Sum over the sims to get all the flagged points */
-    biasSharing.sum(arrayRefFromArray(numUpdatesOfPoint.data(), numPoints), biasIndex);
+    biasSharing.sumOverSharingSimulations(arrayRefFromArray(numUpdatesOfPoint.data(), numPoints), biasIndex);
 
     /* Collect the indices of the flagged points in place. The resulting array will be the merged update list.*/
     updateList->clear();
@@ -690,8 +690,10 @@ void mergeSharedUpdateLists(std::vector<int>*  updateList,
  * \param[in] grid              The AWH bias.
  * \param[in] points            The point state.
  * \param[in] originUpdatelist  The origin of the rectangular region that has been sampled since
- * last update. \param[in] endUpdatelist     The end of the rectangular that has been sampled since
- * last update. \param[in,out] updateList    Local update list to set (assumed >= npoints long).
+ *                              last update.
+ * \param[in] endUpdatelist     The end of the rectangular that has been sampled since
+ *                              last update.
+ * \param[in,out] updateList    Local update list to set (assumed >= npoints long).
  */
 void makeLocalUpdateList(const BiasGrid&            grid,
                          ArrayRef<const PointState> points,
@@ -790,8 +792,8 @@ void sumHistograms(gmx::ArrayRef<PointState> pointState,
             coordVisits[localIndex] = ps.numVisitsIteration();
         }
 
-        biasSharing->sum(gmx::ArrayRef<double>(weightSum), biasIndex);
-        biasSharing->sum(gmx::ArrayRef<double>(coordVisits), biasIndex);
+        biasSharing->sumOverSharingSimulations(gmx::ArrayRef<double>(weightSum), biasIndex);
+        biasSharing->sumOverSharingSimulations(gmx::ArrayRef<double>(coordVisits), biasIndex);
 
         /* Transfer back the result */
         for (size_t localIndex = 0; localIndex < localUpdateList.size(); localIndex++)
@@ -1025,8 +1027,9 @@ bool BiasState::isSamplingRegionCovered(const BiasParams&         params,
         /* For multiple dimensions this may not be the best way to do it. */
         for (int d = 0; d < grid.numDimensions(); d++)
         {
-            biasSharing_->sum(gmx::arrayRefFromArray(checkDim[d].covered.data(), grid.axis(d).numPoints()),
-                              params.biasIndex);
+            biasSharing_->sumOverSharingSimulations(
+                    gmx::arrayRefFromArray(checkDim[d].covered.data(), grid.axis(d).numPoints()),
+                    params.biasIndex);
         }
     }