Implemented nbnxn LJ switch functions

[alexxy/gromacs.git] / src / gromacs / mdlib / nbnxn_kernels / simd_2xnn / nbnxn_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_2xnn.c

diff --git a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_ewald_twin_comb_geom_energrp.c b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_2xnn.c
similarity index 95%
rename from src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_ewald_twin_comb_geom_energrp.c
rename to src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_2xnn.c
index 540a2cf46911c66364f0b91d27f43745692e216e..9f681e18703cceb1b927406dc6db423977756fb1 100644 (file)
--- a/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_ewald_twin_comb_geom_energrp.c
+++ b/src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_2xnn.c
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * Copyright (c) 2012,2013,2014, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -58,7 +58,7 @@
 
 #ifdef CALC_ENERGIES
 void
-nbnxn_kernel_simd_2xnn_ewald_twin_comb_geom_energrp(const nbnxn_pairlist_t    gmx_unused *nbl,
+nbnxn_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_2xnn(const nbnxn_pairlist_t    gmx_unused *nbl,
                                                     const nbnxn_atomdata_t    gmx_unused *nbat,
                                                     const interaction_const_t gmx_unused *ic,
                                                     rvec                      gmx_unused *shift_vec,
@@ -68,7 +68,7 @@ nbnxn_kernel_simd_2xnn_ewald_twin_comb_geom_energrp(const nbnxn_pairlist_t    gm
                                                     real                      gmx_unused *Vc)
 #else /* CALC_ENERGIES */
 void
-nbnxn_kernel_simd_2xnn_ewald_twin_comb_geom_energrp(const nbnxn_pairlist_t    gmx_unused *nbl,
+nbnxn_kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF_2xnn(const nbnxn_pairlist_t    gmx_unused *nbl,
                                                     const nbnxn_atomdata_t    gmx_unused *nbat,
                                                     const interaction_const_t gmx_unused *ic,
                                                     rvec                      gmx_unused *shift_vec,