Merge pull request #2375 from ye-luo/house-keeping

Fix precision mishandling and more clang warning
QMCPACK · Apr 10, 2020 · ae562a8 · ae562a8
2 parents 514e316 + 042a657
commit ae562a8
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Showing 3 changed files with 5 additions and 5 deletions.
diff --git a/src/LongRange/EwaldHandler.cpp b/src/LongRange/EwaldHandler.cpp
@@ -131,7 +131,7 @@ EwaldHandler::mRealType EwaldHandler::evaluate_vlr_k(mRealType k)
     return uk;
   }
 
-  EwaldHandler::mRealType EwaldHandler::evaluate_slab(mRealType z, const std::vector<int>& kshell,
+  EwaldHandler::mRealType EwaldHandler::evaluate_slab(pRealType z, const std::vector<int>& kshell,
                                                       const pComplexType* restrict eikr_i,
                                                       const pComplexType* restrict eikr_j)
   {

diff --git a/src/LongRange/EwaldHandler.h b/src/LongRange/EwaldHandler.h
@@ -99,10 +99,10 @@ class EwaldHandler : public LRHandlerBase
 
   /** evaluate k-dependent
    */
-  mRealType evaluate_slab(mRealType z,
+  mRealType evaluate_slab(pRealType z,
                           const std::vector<int>& kshell,
                           const pComplexType* restrict rk1,
-                          const pComplexType* restrict rk2);
+                          const pComplexType* restrict rk2) override;
 
   /** evaluate k=0 term at z
    * @param z distance in the slab direction

diff --git a/src/LongRange/EwaldHandler3D.h b/src/LongRange/EwaldHandler3D.h
@@ -124,7 +124,7 @@ class EwaldHandler3D : public LRHandlerBase
   }
 
   //This returns the stress derivative of Fk, except for the explicit volume dependence.  The explicit volume dependence is factored away into V.
-  inline SymTensor<mRealType, OHMMS_DIM> evaluateLR_dstrain(TinyVector<mRealType, OHMMS_DIM> k, mRealType kmag)
+  inline SymTensor<mRealType, OHMMS_DIM> evaluateLR_dstrain(TinyVector<pRealType, OHMMS_DIM> k, pRealType kmag) override
   {
     SymTensor<mRealType, OHMMS_DIM> deriv_tensor = 0;
 
@@ -143,7 +143,7 @@ class EwaldHandler3D : public LRHandlerBase
   }
 
 
-  inline SymTensor<mRealType, OHMMS_DIM> evaluateSR_dstrain(TinyVector<mRealType, OHMMS_DIM> r, mRealType rmag)
+  inline SymTensor<mRealType, OHMMS_DIM> evaluateSR_dstrain(TinyVector<pRealType, OHMMS_DIM> r, pRealType rmag) override
   {
     SymTensor<mRealType, OHMMS_DIM> deriv_tensor = 0;