Merged in vselfBinsCPUToggleCellStress (pull request #576)

extend cpu/gpu toggle to vself bins solve in perturbed domain Approved-by: Phani Motamarri
dftfeDevelopers · Mar 27, 2024 · 352ded0 · 352ded0
2 parents aabbd5a + 5f440f8
commit 352ded0
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/dft/solveVselfInBins.cc b/src/dft/solveVselfInBins.cc
@@ -1672,7 +1672,7 @@ namespace dftfe
  std::vector<double> smearedChargeScaling;
 
 #ifdef DFTFE_WITH_DEVICE
- if (d_dftParams.useDevice)
+ if (d_dftParams.useDevice and d_dftParams.vselfGPU)
  solveVselfInBinsDevice(basisOperationsPtr,
  mfBaseDofHandlerIndex,
  matrixFreeQuadratureIdAX,