use new API to get access to intel fix

src/INTEL/angle_charmm_intel.cpp

@@ -317,11 +317,8 @@ void AngleCharmmIntel::init_style()
 {
   AngleCharmm::init_style();
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   #ifdef _LMP_INTEL_OFFLOAD
   _use_base = 0;

src/INTEL/angle_harmonic_intel.cpp

@@ -299,11 +299,8 @@ void AngleHarmonicIntel::init_style()
 {
   AngleHarmonic::init_style();
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   #ifdef _LMP_INTEL_OFFLOAD
   _use_base = 0;

src/INTEL/bond_fene_intel.cpp

@@ -277,11 +277,8 @@ void BondFENEIntel::init_style()
 {
   BondFENE::init_style();
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   #ifdef _LMP_INTEL_OFFLOAD
   _use_base = 0;

src/INTEL/bond_harmonic_intel.cpp

@@ -247,11 +247,8 @@ void BondHarmonicIntel::init_style()
 {
   BondHarmonic::init_style();
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   #ifdef _LMP_INTEL_OFFLOAD
   _use_base = 0;

src/INTEL/dihedral_charmm_intel.cpp

@@ -905,11 +905,8 @@ void DihedralCharmmIntel::init_style()
 {
   DihedralCharmm::init_style();
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   #ifdef _LMP_INTEL_OFFLOAD
   _use_base = 0;

src/INTEL/dihedral_fourier_intel.cpp

@@ -364,11 +364,8 @@ void DihedralFourierIntel::init_style()
 {
   DihedralFourier::init_style();
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   #ifdef _LMP_INTEL_OFFLOAD
   _use_base = 0;

src/INTEL/dihedral_harmonic_intel.cpp

@@ -359,11 +359,8 @@ void DihedralHarmonicIntel::init_style()
 {
   DihedralHarmonic::init_style();
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   #ifdef _LMP_INTEL_OFFLOAD
   _use_base = 0;

src/INTEL/dihedral_opls_intel.cpp

@@ -379,11 +379,8 @@ void DihedralOPLSIntel::init_style()
 {
   DihedralOPLS::init_style();
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   #ifdef _LMP_INTEL_OFFLOAD
   _use_base = 0;

src/INTEL/improper_cvff_intel.cpp

@@ -396,11 +396,8 @@ void ImproperCvffIntel::eval(const int vflag,
 
 void ImproperCvffIntel::init_style()
 {
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   #ifdef _LMP_INTEL_OFFLOAD
   _use_base = 0;

src/INTEL/improper_harmonic_intel.cpp

@@ -349,11 +349,8 @@ void ImproperHarmonicIntel::eval(const int vflag,
 
 void ImproperHarmonicIntel::init_style()
 {
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   #ifdef _LMP_INTEL_OFFLOAD
   _use_base = 0;

src/INTEL/nbin_intel.cpp

@@ -30,11 +30,8 @@ using namespace LAMMPS_NS;
 /* ---------------------------------------------------------------------- */
 
 NBinIntel::NBinIntel(LAMMPS *lmp) : NBinStandard(lmp) {
-  int ifix = modify->find_fix("package_intel");
+  _fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!_fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  _fix = static_cast<FixIntel *>(modify->fix[ifix]);
   _precision_mode = _fix->precision();
   _atombin = nullptr;
   _binpacked = nullptr;

src/INTEL/npair_halffull_newton_intel.cpp

@@ -30,11 +30,8 @@ using namespace LAMMPS_NS;
 /* ---------------------------------------------------------------------- */
 
 NPairHalffullNewtonIntel::NPairHalffullNewtonIntel(LAMMPS *lmp) : NPair(lmp) {
-  int ifix = modify->find_fix("package_intel");
+  _fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!_fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  _fix = static_cast<FixIntel *>(modify->fix[ifix]);
 }
 
 /* ----------------------------------------------------------------------

src/INTEL/npair_intel.cpp

@@ -29,10 +29,8 @@ using namespace LAMMPS_NS;
 /* ---------------------------------------------------------------------- */
 
 NPairIntel::NPairIntel(LAMMPS *lmp) : NPair(lmp) {
-  int ifix = modify->find_fix("package_intel");
+  _fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!_fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,"The 'package intel' command is required for /intel styles");
-  _fix = static_cast<FixIntel *>(modify->fix[ifix]);
   #ifdef _LMP_INTEL_OFFLOAD
   _cop = _fix->coprocessor_number();
   _off_map_stencil = 0;

src/INTEL/npair_skip_intel.cpp

@@ -32,11 +32,8 @@ using namespace LAMMPS_NS;
 /* ---------------------------------------------------------------------- */
 
 NPairSkipIntel::NPairSkipIntel(LAMMPS *lmp) : NPair(lmp) {
-  int ifix = modify->find_fix("package_intel");
+  _fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!_fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  _fix = static_cast<FixIntel *>(modify->fix[ifix]);
   _inum_starts = new int[comm->nthreads];
   _inum_counts = new int[comm->nthreads];
   _full_props = 0;

src/INTEL/pair_airebo_intel.cpp

@@ -186,11 +186,8 @@ void PairAIREBOIntel::init_style()
   if (utils::strmatch(force->pair_style,"^hybrid"))
     error->all(FLERR, "Cannot yet use airebo/intel with hybrid.");
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   fix->pair_init_check();
   #ifdef _LMP_INTEL_OFFLOAD

src/INTEL/pair_buck_coul_cut_intel.cpp

@@ -416,11 +416,8 @@ void PairBuckCoulCutIntel::init_style()
   }
   request->intel = 1;
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   fix->pair_init_check();
   #ifdef _LMP_INTEL_OFFLOAD

src/INTEL/pair_buck_coul_long_intel.cpp

@@ -493,11 +493,8 @@ void PairBuckCoulLongIntel::init_style()
   }
   request->intel = 1;
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   fix->pair_init_check();
   #ifdef _LMP_INTEL_OFFLOAD

src/INTEL/pair_buck_intel.cpp

@@ -383,11 +383,8 @@ void PairBuckIntel::init_style()
   }
   request->intel = 1;
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   fix->pair_init_check();
   #ifdef _LMP_INTEL_OFFLOAD

src/INTEL/pair_dpd_intel.cpp

@@ -492,11 +492,8 @@ void PairDPDIntel::init_style()
   }
   request->intel = 1;
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   fix->pair_init_check();
   #ifdef _LMP_INTEL_OFFLOAD

src/INTEL/pair_eam_intel.cpp

@@ -674,11 +674,8 @@ void PairEAMIntel::init_style()
   }
   request->intel = 1;
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   fix->pair_init_check();
   #ifdef _LMP_INTEL_OFFLOAD

src/INTEL/pair_gayberne_intel.cpp

@@ -897,11 +897,8 @@ void PairGayBerneIntel::init_style()
   }
   request->intel = 1;
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   fix->pair_init_check();
   #ifdef _LMP_INTEL_OFFLOAD

src/INTEL/pair_lj_charmm_coul_charmm_intel.cpp

@@ -464,11 +464,8 @@ void PairLJCharmmCoulCharmmIntel::init_style()
   }
   request->intel = 1;
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   fix->pair_init_check();
   #ifdef _LMP_INTEL_OFFLOAD

src/INTEL/pair_lj_charmm_coul_long_intel.cpp

@@ -529,11 +529,8 @@ void PairLJCharmmCoulLongIntel::init_style()
   }
   request->intel = 1;
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   fix->pair_init_check();
   #ifdef _LMP_INTEL_OFFLOAD

src/INTEL/pair_lj_cut_coul_long_intel.cpp

@@ -494,11 +494,8 @@ void PairLJCutCoulLongIntel::init_style()
   }
   request->intel = 1;
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   fix->pair_init_check();
   #ifdef _LMP_INTEL_OFFLOAD

src/INTEL/pair_lj_cut_intel.cpp

@@ -400,11 +400,8 @@ void PairLJCutIntel::init_style()
   }
   request->intel = 1;
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   fix->pair_init_check();
   #ifdef _LMP_INTEL_OFFLOAD

src/INTEL/pair_sw_intel.cpp

@@ -1113,10 +1113,8 @@ void PairSWIntel::init_style()
 
   map[0] = map[1];
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,"The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   fix->pair_init_check(true);
 

src/INTEL/pair_tersoff_intel.cpp

@@ -412,11 +412,8 @@ void PairTersoffIntel::init_style()
   neighbor->requests[irequest]->full = 1;
   neighbor->requests[irequest]->intel = 1;
 
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   fix->pair_init_check();
   fix->three_body_neighbor(1);

src/INTEL/pppm_disp_intel.cpp

@@ -109,11 +109,8 @@ void PPPMDispIntel::init()
 {
 
   PPPMDisp::init();
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   #ifdef _LMP_INTEL_OFFLOAD
   _use_base = 0;

src/INTEL/pppm_intel.cpp

@@ -93,11 +93,8 @@ PPPMIntel::~PPPMIntel()
 void PPPMIntel::init()
 {
   PPPM::init();
-  int ifix = modify->find_fix("package_intel");
+  fix = static_cast<FixIntel *>(modify->get_fix_by_id("package_intel"));
-  if (ifix < 0)
+  if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles");
-    error->all(FLERR,
-               "The 'package intel' command is required for /intel styles");
-  fix = static_cast<FixIntel *>(modify->fix[ifix]);
 
   #ifdef _LMP_INTEL_OFFLOAD
   _use_base = 0;