Rename and add doxygen to reaction field params in interaction_const

[alexxy/gromacs.git] / src / gromacs / nbnxm / nbnxm_gpu_data_mgmt.cpp

diff --git a/src/gromacs/nbnxm/nbnxm_gpu_data_mgmt.cpp b/src/gromacs/nbnxm/nbnxm_gpu_data_mgmt.cpp
index f811eee3e5ed0a23e952e8908fb1247882532085..344e69d54ed887a8813f44c00b0c555e7684147e 100644 (file)
--- a/src/gromacs/nbnxm/nbnxm_gpu_data_mgmt.cpp
+++ b/src/gromacs/nbnxm/nbnxm_gpu_data_mgmt.cpp
@@ -152,8 +152,8 @@ void set_cutoff_parameters(NBParamGpu* nbp, const interaction_const_t* ic, const
     nbp->ewald_beta        = ic->ewaldcoeff_q;
     nbp->sh_ewald          = ic->sh_ewald;
     nbp->epsfac            = ic->epsfac;
-    nbp->two_k_rf          = 2.0 * ic->k_rf;
-    nbp->c_rf              = ic->c_rf;
+    nbp->two_k_rf          = 2.0 * ic->reactionFieldCoefficient;
+    nbp->c_rf              = ic->reactionFieldShift;
     nbp->rvdw_sq           = ic->rvdw * ic->rvdw;
     nbp->rcoulomb_sq       = ic->rcoulomb * ic->rcoulomb;
     nbp->rlistOuter_sq     = listParams.rlistOuter * listParams.rlistOuter;