use the correct way to look up a neighbor list request

src/USER-INTEL/pair_airebo_intel.cpp

@@ -179,12 +179,10 @@ PairAIREBOIntel::~PairAIREBOIntel()
 void PairAIREBOIntel::init_style()
 {
   PairAIREBO::init_style();
-  neighbor->requests[neighbor->nrequest-1]->intel = 1;
+  neighbor->find_request(this)->intel = 1;
 
-  const int nrequest = neighbor->nrequest;
-  for (int i = 0; i < nrequest; ++i)
-    if (neighbor->requests[i]->skip)
-      error->all(FLERR, "Cannot yet use airebo/intel with hybrid.");
+  if (utils::strmatch(force->pair_style,"^hybrid"))
+    error->all(FLERR, "Cannot yet use airebo/intel with hybrid.");
 
   int ifix = modify->find_fix("package_intel");
   if (ifix < 0)

src/USER-INTEL/pair_buck_coul_cut_intel.cpp

@@ -15,25 +15,25 @@
    Contributing author: Rodrigo Canales (RWTH Aachen University)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
-#include <cstdio>
-
-#include <cstring>
 #include "pair_buck_coul_cut_intel.h"
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
+#include "force.h"
 #include "force.h"
 #include "group.h"
 #include "kspace.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
 #include "math_const.h"
 #include "memory.h"
-#include "error.h"
-#include "suffix.h"
-#include "force.h"
 #include "modify.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
+#include "suffix.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
@@ -402,11 +402,12 @@ void PairBuckCoulCutIntel::eval(const int offload, const int vflag,
 void PairBuckCoulCutIntel::init_style()
 {
   PairBuckCoulCut::init_style();
+  auto request = neighbor->find_request(this);
   if (force->newton_pair == 0) {
-    neighbor->requests[neighbor->nrequest-1]->half = 0;
-    neighbor->requests[neighbor->nrequest-1]->full = 1;
+    request->half = 0;
+    request->full = 1;
   }
-  neighbor->requests[neighbor->nrequest-1]->intel = 1;
+  request->intel = 1;
 
   int ifix = modify->find_fix("package_intel");
   if (ifix < 0)

src/USER-INTEL/pair_buck_coul_long_intel.cpp

@@ -15,25 +15,25 @@
    Contributing author: Rodrigo Canales (RWTH Aachen University)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
-#include <cstdio>
-
-#include <cstring>
 #include "pair_buck_coul_long_intel.h"
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
+#include "force.h"
 #include "force.h"
 #include "group.h"
 #include "kspace.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
 #include "math_const.h"
 #include "memory.h"
-#include "error.h"
-#include "suffix.h"
-#include "force.h"
 #include "modify.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
+#include "suffix.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
@@ -478,11 +478,13 @@ void PairBuckCoulLongIntel::eval(const int offload, const int vflag,
 void PairBuckCoulLongIntel::init_style()
 {
   PairBuckCoulLong::init_style();
+  auto request = neighbor->find_request(this);
+
   if (force->newton_pair == 0) {
-    neighbor->requests[neighbor->nrequest-1]->half = 0;
-    neighbor->requests[neighbor->nrequest-1]->full = 1;
+    request->half = 0;
+    request->full = 1;
   }
-  neighbor->requests[neighbor->nrequest-1]->intel = 1;
+  request->intel = 1;
 
   int ifix = modify->find_fix("package_intel");
   if (ifix < 0)

src/USER-INTEL/pair_buck_intel.cpp

@@ -362,11 +362,14 @@ void PairBuckIntel::eval(const int offload, const int vflag,
 void PairBuckIntel::init_style()
 {
   PairBuck::init_style();
+
+  // augment neighbor list request
+  auto request = neighbor->find_request(this);
   if (force->newton_pair == 0) {
-    neighbor->requests[neighbor->nrequest-1]->half = 0;
-    neighbor->requests[neighbor->nrequest-1]->full = 1;
+    request->half = 0;
+    request->full = 1;
   }
-  neighbor->requests[neighbor->nrequest-1]->intel = 1;
+  request->intel = 1;
 
   int ifix = modify->find_fix("package_intel");
   if (ifix < 0)

src/USER-INTEL/pair_dpd_intel.cpp

@@ -13,17 +13,20 @@
                         Shun Xu (Computer Network Information Center, CAS)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
 #include "pair_dpd_intel.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
 #include "memory.h"
 #include "modify.h"
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
+#include "neighbor.h"
 #include "suffix.h"
+
+#include <cmath>
+
 using namespace LAMMPS_NS;
 
 #define LMP_MKL_RNG VSL_BRNG_MT19937
@@ -468,11 +471,13 @@ void PairDPDIntel::settings(int narg, char **arg) {
 void PairDPDIntel::init_style()
 {
   PairDPD::init_style();
+  auto request = neighbor->find_request(this);
+
   if (force->newton_pair == 0) {
-    neighbor->requests[neighbor->nrequest-1]->half = 0;
-    neighbor->requests[neighbor->nrequest-1]->full = 1;
+    request->half = 0;
+    request->full = 1;
   }
-  neighbor->requests[neighbor->nrequest-1]->intel = 1;
+  request->intel = 1;
 
   int ifix = modify->find_fix("package_intel");
   if (ifix < 0)

src/USER-INTEL/pair_eam_intel.cpp

@@ -637,11 +637,13 @@ void PairEAMIntel::eval(const int offload, const int vflag,
 void PairEAMIntel::init_style()
 {
   PairEAM::init_style();
+  auto request = neighbor->find_request(this);
+
   if (force->newton_pair == 0) {
-    neighbor->requests[neighbor->nrequest-1]->half = 0;
-    neighbor->requests[neighbor->nrequest-1]->full = 1;
+    request->half = 0;
+    request->full = 1;
   }
-  neighbor->requests[neighbor->nrequest-1]->intel = 1;
+  request->intel = 1;
 
   int ifix = modify->find_fix("package_intel");
   if (ifix < 0)

src/USER-INTEL/pair_gayberne_intel.cpp

@@ -24,16 +24,16 @@
 #endif
 
 #include "atom.h"
-#include "comm.h"
 #include "atom_vec_ellipsoid.h"
+#include "comm.h"
 #include "force.h"
 #include "memory.h"
 #include "modify.h"
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-
+#include "neighbor.h"
 #include "suffix.h"
+
 using namespace LAMMPS_NS;
 
 #define FC_PACKED1_T typename ForceConst<flt_t>::fc_packed1
@@ -873,11 +873,13 @@ void PairGayBerneIntel::eval(const int offload, const int vflag,
 void PairGayBerneIntel::init_style()
 {
   PairGayBerne::init_style();
+  auto request = neighbor->find_request(this);
+
   if (force->newton_pair == 0) {
-    neighbor->requests[neighbor->nrequest-1]->half = 0;
-    neighbor->requests[neighbor->nrequest-1]->full = 1;
+    request->half = 0;
+    request->full = 1;
   }
-  neighbor->requests[neighbor->nrequest-1]->intel = 1;
+  request->intel = 1;
 
   int ifix = modify->find_fix("package_intel");
   if (ifix < 0)

src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.cpp

@@ -447,11 +447,13 @@ void PairLJCharmmCoulCharmmIntel::eval(const int offload, const int vflag,
 void PairLJCharmmCoulCharmmIntel::init_style()
 {
   PairLJCharmmCoulCharmm::init_style();
+  auto request = neighbor->find_request(this);
+
   if (force->newton_pair == 0) {
-    neighbor->requests[neighbor->nrequest-1]->half = 0;
-    neighbor->requests[neighbor->nrequest-1]->full = 1;
+    request->half = 0;
+    request->full = 1;
   }
-  neighbor->requests[neighbor->nrequest-1]->intel = 1;
+  request->intel = 1;
 
   int ifix = modify->find_fix("package_intel");
   if (ifix < 0)

src/USER-INTEL/pair_lj_charmm_coul_long_intel.cpp

@@ -12,20 +12,23 @@
    Contributing author: W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
 #include "pair_lj_charmm_coul_long_intel.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
 #include "group.h"
 #include "kspace.h"
 #include "memory.h"
+#include "memory.h"
 #include "modify.h"
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "memory.h"
+#include "neighbor.h"
 #include "suffix.h"
+
+#include <cmath>
+
 using namespace LAMMPS_NS;
 
 #define LJ_T typename IntelBuffers<flt_t,flt_t>::vec2_t
@@ -509,11 +512,13 @@ void PairLJCharmmCoulLongIntel::eval(const int offload, const int vflag,
 void PairLJCharmmCoulLongIntel::init_style()
 {
   PairLJCharmmCoulLong::init_style();
+  auto request = neighbor->find_request(this);
+
   if (force->newton_pair == 0) {
-    neighbor->requests[neighbor->nrequest-1]->half = 0;
-    neighbor->requests[neighbor->nrequest-1]->full = 1;
+    request->half = 0;
+    request->full = 1;
   }
-  neighbor->requests[neighbor->nrequest-1]->intel = 1;
+  request->intel = 1;
 
   int ifix = modify->find_fix("package_intel");
   if (ifix < 0)

src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp

@@ -475,11 +475,13 @@ void PairLJCutCoulLongIntel::eval(const int offload, const int vflag,
 void PairLJCutCoulLongIntel::init_style()
 {
   PairLJCutCoulLong::init_style();
+  auto request = neighbor->find_request(this);
+
   if (force->newton_pair == 0) {
-    neighbor->requests[neighbor->nrequest-1]->half = 0;
-    neighbor->requests[neighbor->nrequest-1]->full = 1;
+    request->half = 0;
+    request->full = 1;
   }
-  neighbor->requests[neighbor->nrequest-1]->intel = 1;
+  request->intel = 1;
 
   int ifix = modify->find_fix("package_intel");
   if (ifix < 0)

src/USER-INTEL/pair_lj_cut_intel.cpp

@@ -12,18 +12,20 @@
    Contributing author: W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
 #include "pair_lj_cut_intel.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
 #include "memory.h"
 #include "modify.h"
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-
+#include "neighbor.h"
 #include "suffix.h"
+
+#include <cmath>
+
 using namespace LAMMPS_NS;
 
 #define FC_PACKED1_T typename ForceConst<flt_t>::fc_packed1
@@ -379,11 +381,13 @@ void PairLJCutIntel::eval(const int offload, const int vflag,
 void PairLJCutIntel::init_style()
 {
   PairLJCut::init_style();
+  auto request = neighbor->find_request(this);
+
   if (force->newton_pair == 0) {
-    neighbor->requests[neighbor->nrequest-1]->half = 0;
-    neighbor->requests[neighbor->nrequest-1]->full = 1;
+    request->half = 0;
+    request->full = 1;
   }
-  neighbor->requests[neighbor->nrequest-1]->intel = 1;
+  request->intel = 1;
 
   int ifix = modify->find_fix("package_intel");
   if (ifix < 0)

src/USER-INTEL/pair_sw_intel.cpp

@@ -1101,7 +1101,8 @@ void PairSWIntel::allocate()
 void PairSWIntel::init_style()
 {
   PairSW::init_style();
-  neighbor->requests[neighbor->nrequest-1]->intel = 1;
+  neighbor->find_request(this)->intel = 1;
+
   map[0] = map[1];
 
   int ifix = modify->find_fix("package_intel");