Rename and add doxygen to reaction field params in interaction_const

[alexxy/gromacs.git] / src / gromacs / nbnxm / kernels_simd_4xm / kernel_outer.h

diff --git a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h
index 187e01440029aef8af1033a506721ee2ee73d87d..ea0ec1fbace70c335ba504544b0be603e35b95d6 100644 (file)
--- a/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h
+++ b/src/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h
@@ -215,10 +215,10 @@
 
 #ifdef CALC_COUL_RF
     /* Reaction-field constants */
-    mrc_3_S = SimdReal(-2 * ic->k_rf);
+    mrc_3_S = SimdReal(-2 * ic->reactionFieldCoefficient);
 #    ifdef CALC_ENERGIES
-    hrc_3_S  = SimdReal(ic->k_rf);
-    moh_rc_S = SimdReal(-ic->c_rf);
+    hrc_3_S  = SimdReal(ic->reactionFieldCoefficient);
+    moh_rc_S = SimdReal(-ic->reactionFieldShift);
 #    endif
 #endif
 
@@ -425,7 +425,7 @@
                     if (do_coul)
                     {
 #    ifdef CALC_COUL_RF
-                        const real Vc_sub_self = 0.5 * ic->c_rf;
+                        const real Vc_sub_self = 0.5 * ic->reactionFieldShift;
 #    endif
 #    ifdef CALC_COUL_TAB
 #        ifdef TAB_FDV0