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[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / nb_kernel_c / nb_kernel_c.c
diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.c
index 0d470ffc7d4227ceb2a6cadbd99988d09ace22c6..ca9b753a792243d902da57962c3db301a9971bab 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.c
+++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.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.
@@ -35,11 +35,14 @@
 /*
  * Note: this file was generated by the GROMACS c kernel generator.
  */
-#ifndef nb_kernel_c_h
-#define nb_kernel_c_h
+#include "gmxpre.h"
 
-#include "../nb_kernel.h"
+#include "gromacs/gmxlib/nonbonded/nb_kernel.h"
 
+nb_kernel_t nb_kernel_ElecNone_VdwLJEw_GeomP1P1_VF_c;
+nb_kernel_t nb_kernel_ElecNone_VdwLJEw_GeomP1P1_F_c;
+nb_kernel_t nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_VF_c;
+nb_kernel_t nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_F_c;
 nb_kernel_t nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_c;
 nb_kernel_t nb_kernel_ElecNone_VdwLJ_GeomP1P1_F_c;
 nb_kernel_t nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_c;
@@ -54,6 +57,16 @@ nb_kernel_t nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_VF_c;
 nb_kernel_t nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_F_c;
 nb_kernel_t nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_VF_c;
 nb_kernel_t nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_F_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomP1P1_VF_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomP1P1_F_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomW3P1_VF_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomW3P1_F_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomW3W3_VF_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomW3W3_F_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomW4P1_VF_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomW4P1_F_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomW4W4_VF_c;
+nb_kernel_t nb_kernel_ElecEw_VdwLJEw_GeomW4W4_F_c;
 nb_kernel_t nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_c;
 nb_kernel_t nb_kernel_ElecEw_VdwLJ_GeomP1P1_F_c;
 nb_kernel_t nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_c;
@@ -94,6 +107,16 @@ nb_kernel_t nb_kernel_ElecEw_VdwBham_GeomW4P1_VF_c;
 nb_kernel_t nb_kernel_ElecEw_VdwBham_GeomW4P1_F_c;
 nb_kernel_t nb_kernel_ElecEw_VdwBham_GeomW4W4_VF_c;
 nb_kernel_t nb_kernel_ElecEw_VdwBham_GeomW4W4_F_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_VF_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_F_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_VF_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_F_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_VF_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_F_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_VF_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_F_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_VF_c;
+nb_kernel_t nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_F_c;
 nb_kernel_t nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_c;
 nb_kernel_t nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_F_c;
 nb_kernel_t nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_c;
@@ -347,6 +370,10 @@ nb_kernel_t nb_kernel_ElecRF_VdwBham_GeomW4W4_F_c;
 nb_kernel_info_t
     kernellist_c[] =
 {
+    { nb_kernel_ElecNone_VdwLJEw_GeomP1P1_VF_c, "nb_kernel_ElecNone_VdwLJEw_GeomP1P1_VF_c", "c", "None", "None", "LJEwald", "None", "ParticleParticle", "", "PotentialAndForce" },
+    { nb_kernel_ElecNone_VdwLJEw_GeomP1P1_F_c, "nb_kernel_ElecNone_VdwLJEw_GeomP1P1_F_c", "c", "None", "None", "LJEwald", "None", "ParticleParticle", "", "Force" },
+    { nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_VF_c, "nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_VF_c", "c", "None", "None", "LJEwald", "PotentialShift", "ParticleParticle", "", "PotentialAndForce" },
+    { nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_F_c, "nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_F_c", "c", "None", "None", "LJEwald", "PotentialShift", "ParticleParticle", "", "Force" },
     { nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_c, "nb_kernel_ElecNone_VdwLJ_GeomP1P1_VF_c", "c", "None", "None", "LennardJones", "None", "ParticleParticle", "", "PotentialAndForce" },
     { nb_kernel_ElecNone_VdwLJ_GeomP1P1_F_c, "nb_kernel_ElecNone_VdwLJ_GeomP1P1_F_c", "c", "None", "None", "LennardJones", "None", "ParticleParticle", "", "Force" },
     { nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_c, "nb_kernel_ElecNone_VdwLJSh_GeomP1P1_VF_c", "c", "None", "None", "LennardJones", "PotentialShift", "ParticleParticle", "", "PotentialAndForce" },
@@ -361,6 +388,16 @@ nb_kernel_info_t
     { nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_F_c, "nb_kernel_ElecNone_VdwBhamSh_GeomP1P1_F_c", "c", "None", "None", "Buckingham", "PotentialShift", "ParticleParticle", "", "Force" },
     { nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_VF_c, "nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_VF_c", "c", "None", "None", "Buckingham", "PotentialSwitch", "ParticleParticle", "", "PotentialAndForce" },
     { nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_F_c, "nb_kernel_ElecNone_VdwBhamSw_GeomP1P1_F_c", "c", "None", "None", "Buckingham", "PotentialSwitch", "ParticleParticle", "", "Force" },
+    { nb_kernel_ElecEw_VdwLJEw_GeomP1P1_VF_c, "nb_kernel_ElecEw_VdwLJEw_GeomP1P1_VF_c", "c", "Ewald", "None", "LJEwald", "None", "ParticleParticle", "", "PotentialAndForce" },
+    { nb_kernel_ElecEw_VdwLJEw_GeomP1P1_F_c, "nb_kernel_ElecEw_VdwLJEw_GeomP1P1_F_c", "c", "Ewald", "None", "LJEwald", "None", "ParticleParticle", "", "Force" },
+    { nb_kernel_ElecEw_VdwLJEw_GeomW3P1_VF_c, "nb_kernel_ElecEw_VdwLJEw_GeomW3P1_VF_c", "c", "Ewald", "None", "LJEwald", "None", "Water3Particle", "", "PotentialAndForce" },
+    { nb_kernel_ElecEw_VdwLJEw_GeomW3P1_F_c, "nb_kernel_ElecEw_VdwLJEw_GeomW3P1_F_c", "c", "Ewald", "None", "LJEwald", "None", "Water3Particle", "", "Force" },
+    { nb_kernel_ElecEw_VdwLJEw_GeomW3W3_VF_c, "nb_kernel_ElecEw_VdwLJEw_GeomW3W3_VF_c", "c", "Ewald", "None", "LJEwald", "None", "Water3Water3", "", "PotentialAndForce" },
+    { nb_kernel_ElecEw_VdwLJEw_GeomW3W3_F_c, "nb_kernel_ElecEw_VdwLJEw_GeomW3W3_F_c", "c", "Ewald", "None", "LJEwald", "None", "Water3Water3", "", "Force" },
+    { nb_kernel_ElecEw_VdwLJEw_GeomW4P1_VF_c, "nb_kernel_ElecEw_VdwLJEw_GeomW4P1_VF_c", "c", "Ewald", "None", "LJEwald", "None", "Water4Particle", "", "PotentialAndForce" },
+    { nb_kernel_ElecEw_VdwLJEw_GeomW4P1_F_c, "nb_kernel_ElecEw_VdwLJEw_GeomW4P1_F_c", "c", "Ewald", "None", "LJEwald", "None", "Water4Particle", "", "Force" },
+    { nb_kernel_ElecEw_VdwLJEw_GeomW4W4_VF_c, "nb_kernel_ElecEw_VdwLJEw_GeomW4W4_VF_c", "c", "Ewald", "None", "LJEwald", "None", "Water4Water4", "", "PotentialAndForce" },
+    { nb_kernel_ElecEw_VdwLJEw_GeomW4W4_F_c, "nb_kernel_ElecEw_VdwLJEw_GeomW4W4_F_c", "c", "Ewald", "None", "LJEwald", "None", "Water4Water4", "", "Force" },
     { nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_c, "nb_kernel_ElecEw_VdwLJ_GeomP1P1_VF_c", "c", "Ewald", "None", "LennardJones", "None", "ParticleParticle", "", "PotentialAndForce" },
     { nb_kernel_ElecEw_VdwLJ_GeomP1P1_F_c, "nb_kernel_ElecEw_VdwLJ_GeomP1P1_F_c", "c", "Ewald", "None", "LennardJones", "None", "ParticleParticle", "", "Force" },
     { nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_c, "nb_kernel_ElecEw_VdwLJ_GeomW3P1_VF_c", "c", "Ewald", "None", "LennardJones", "None", "Water3Particle", "", "PotentialAndForce" },
@@ -401,6 +438,16 @@ nb_kernel_info_t
     { nb_kernel_ElecEw_VdwBham_GeomW4P1_F_c, "nb_kernel_ElecEw_VdwBham_GeomW4P1_F_c", "c", "Ewald", "None", "Buckingham", "None", "Water4Particle", "", "Force" },
     { nb_kernel_ElecEw_VdwBham_GeomW4W4_VF_c, "nb_kernel_ElecEw_VdwBham_GeomW4W4_VF_c", "c", "Ewald", "None", "Buckingham", "None", "Water4Water4", "", "PotentialAndForce" },
     { nb_kernel_ElecEw_VdwBham_GeomW4W4_F_c, "nb_kernel_ElecEw_VdwBham_GeomW4W4_F_c", "c", "Ewald", "None", "Buckingham", "None", "Water4Water4", "", "Force" },
+    { nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_VF_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_VF_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "ParticleParticle", "", "PotentialAndForce" },
+    { nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_F_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_F_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "ParticleParticle", "", "Force" },
+    { nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_VF_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_VF_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "Water3Particle", "", "PotentialAndForce" },
+    { nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_F_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_F_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "Water3Particle", "", "Force" },
+    { nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_VF_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_VF_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "Water3Water3", "", "PotentialAndForce" },
+    { nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_F_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_F_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "Water3Water3", "", "Force" },
+    { nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_VF_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_VF_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "Water4Particle", "", "PotentialAndForce" },
+    { nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_F_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_F_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "Water4Particle", "", "Force" },
+    { nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_VF_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_VF_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "Water4Water4", "", "PotentialAndForce" },
+    { nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_F_c, "nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_F_c", "c", "Ewald", "PotentialShift", "LJEwald", "PotentialShift", "Water4Water4", "", "Force" },
     { nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_c, "nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_VF_c", "c", "Ewald", "PotentialShift", "LennardJones", "PotentialShift", "ParticleParticle", "", "PotentialAndForce" },
     { nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_F_c, "nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_F_c", "c", "Ewald", "PotentialShift", "LennardJones", "PotentialShift", "ParticleParticle", "", "Force" },
     { nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_c, "nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_VF_c", "c", "Ewald", "PotentialShift", "LennardJones", "PotentialShift", "Water3Particle", "", "PotentialAndForce" },
@@ -653,5 +700,3 @@ nb_kernel_info_t
 
 int
     kernellist_c_size = sizeof(kernellist_c)/sizeof(kernellist_c[0]);
-
-#endif
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