Various minor nblib updates

[alexxy/gromacs.git] / api / nblib / kerneloptions.h

diff --git a/api/nblib/kerneloptions.h b/api/nblib/kerneloptions.h
index 86ee4325c7790c2af3ad19e44e633fd063db2a41..3ec6b605b7c0878062f1e45af349f7af08474528 100644 (file)
--- a/api/nblib/kerneloptions.h
+++ b/api/nblib/kerneloptions.h
@@ -93,20 +93,14 @@ struct NBKernelOptions final
     SimdKernels nbnxmSimd = SimdKernels::SimdAuto;
     //! The LJ combination rule
     CombinationRule ljCombinationRule = CombinationRule::Geometric;
-    //! Use i-cluster half-LJ optimization for clusters with <= half LJ
-    bool useHalfLJOptimization = false;
     //! The pairlist and interaction cut-off
     real pairlistCutoff = 1.0;
-    //! Whether to compute energies (shift forces for virial are always computed on CPU)
-    bool computeVirialAndEnergy = false;
     //! The Coulomb interaction function
     CoulombType coulombType = CoulombType::Pme;
     //! Whether to use tabulated PME grid correction instead of analytical, not applicable with simd=no
     bool useTabulatedEwaldCorr = false;
     //! The number of iterations for each kernel
     int numIterations = 100;
-    //! Print cycles/pair instead of pairs/cycle
-    bool cyclesPerPair = false;
     //! The time step
     real timestep = 0.001;
 };