Extend nblib listed pbc holder and template kernels

[alexxy/gromacs.git] / api / nblib / listed_forces / calculator.cpp

diff --git a/api/nblib/listed_forces/calculator.cpp b/api/nblib/listed_forces/calculator.cpp
index 7122001a6fb7efb301a052bad47af96e1a8f5fd5..5ded958e743d7edd5bef5af185ee3c53fca0d0dc 100644 (file)
--- a/api/nblib/listed_forces/calculator.cpp
+++ b/api/nblib/listed_forces/calculator.cpp
@@ -60,7 +60,7 @@ ListedForceCalculator::ListedForceCalculator(const ListedInteractionData& intera
                                              const Box&                   box) :
     numThreads(nthr),
     masterForceBuffer_(bufferSize, Vec3{ 0, 0, 0 }),
-    pbcHolder_(std::make_unique<PbcHolder>(box))
+    pbcHolder_(std::make_unique<PbcHolder>(PbcType::Xyz, box))
 {
     // split up the work
     threadedInteractions_ = splitListedWork(interactions, bufferSize, numThreads);