From b76a7764fdd6dd5b336dc471ed784d0e37736d37 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sun, 27 Feb 2022 15:19:34 -0500 Subject: [PATCH] use new API to get access to intel fix --- src/INTEL/angle_charmm_intel.cpp | 7 ++----- src/INTEL/angle_harmonic_intel.cpp | 7 ++----- src/INTEL/bond_fene_intel.cpp | 7 ++----- src/INTEL/bond_harmonic_intel.cpp | 7 ++----- src/INTEL/dihedral_charmm_intel.cpp | 7 ++----- src/INTEL/dihedral_fourier_intel.cpp | 7 ++----- src/INTEL/dihedral_harmonic_intel.cpp | 7 ++----- src/INTEL/dihedral_opls_intel.cpp | 7 ++----- src/INTEL/improper_cvff_intel.cpp | 7 ++----- src/INTEL/improper_harmonic_intel.cpp | 7 ++----- src/INTEL/nbin_intel.cpp | 7 ++----- src/INTEL/npair_halffull_newton_intel.cpp | 7 ++----- src/INTEL/npair_intel.cpp | 6 ++---- src/INTEL/npair_skip_intel.cpp | 7 ++----- src/INTEL/pair_airebo_intel.cpp | 7 ++----- src/INTEL/pair_buck_coul_cut_intel.cpp | 7 ++----- src/INTEL/pair_buck_coul_long_intel.cpp | 7 ++----- src/INTEL/pair_buck_intel.cpp | 7 ++----- src/INTEL/pair_dpd_intel.cpp | 7 ++----- src/INTEL/pair_eam_intel.cpp | 7 ++----- src/INTEL/pair_gayberne_intel.cpp | 7 ++----- src/INTEL/pair_lj_charmm_coul_charmm_intel.cpp | 7 ++----- src/INTEL/pair_lj_charmm_coul_long_intel.cpp | 7 ++----- src/INTEL/pair_lj_cut_coul_long_intel.cpp | 7 ++----- src/INTEL/pair_lj_cut_intel.cpp | 7 ++----- src/INTEL/pair_sw_intel.cpp | 6 ++---- src/INTEL/pair_tersoff_intel.cpp | 7 ++----- src/INTEL/pppm_disp_intel.cpp | 7 ++----- src/INTEL/pppm_intel.cpp | 7 ++----- 29 files changed, 58 insertions(+), 143 deletions(-) diff --git a/src/INTEL/angle_charmm_intel.cpp b/src/INTEL/angle_charmm_intel.cpp index d072b5dd17..582637c69f 100644 --- a/src/INTEL/angle_charmm_intel.cpp +++ b/src/INTEL/angle_charmm_intel.cpp @@ -317,11 +317,8 @@ void AngleCharmmIntel::init_style() { AngleCharmm::init_style(); - int ifix = modify->find_fix("package_intel"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); #ifdef _LMP_INTEL_OFFLOAD _use_base = 0; diff --git a/src/INTEL/angle_harmonic_intel.cpp b/src/INTEL/angle_harmonic_intel.cpp index 5eaac898ff..43d59d5984 100644 --- a/src/INTEL/angle_harmonic_intel.cpp +++ b/src/INTEL/angle_harmonic_intel.cpp @@ -299,11 +299,8 @@ void AngleHarmonicIntel::init_style() { AngleHarmonic::init_style(); - int ifix = modify->find_fix("package_intel"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); #ifdef _LMP_INTEL_OFFLOAD _use_base = 0; diff --git a/src/INTEL/bond_fene_intel.cpp b/src/INTEL/bond_fene_intel.cpp index b1e63df42f..e2b10aaa3e 100644 --- a/src/INTEL/bond_fene_intel.cpp +++ b/src/INTEL/bond_fene_intel.cpp @@ -277,11 +277,8 @@ void BondFENEIntel::init_style() { BondFENE::init_style(); - int ifix = modify->find_fix("package_intel"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); #ifdef _LMP_INTEL_OFFLOAD _use_base = 0; diff --git a/src/INTEL/bond_harmonic_intel.cpp b/src/INTEL/bond_harmonic_intel.cpp index 912d2b4474..b2ab871e01 100644 --- a/src/INTEL/bond_harmonic_intel.cpp +++ b/src/INTEL/bond_harmonic_intel.cpp @@ -247,11 +247,8 @@ void BondHarmonicIntel::init_style() { BondHarmonic::init_style(); - int ifix = modify->find_fix("package_intel"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); #ifdef _LMP_INTEL_OFFLOAD _use_base = 0; diff --git a/src/INTEL/dihedral_charmm_intel.cpp b/src/INTEL/dihedral_charmm_intel.cpp index 349a7c5445..fc416537fe 100644 --- a/src/INTEL/dihedral_charmm_intel.cpp +++ b/src/INTEL/dihedral_charmm_intel.cpp @@ -905,11 +905,8 @@ void DihedralCharmmIntel::init_style() { DihedralCharmm::init_style(); - int ifix = modify->find_fix("package_intel"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); #ifdef _LMP_INTEL_OFFLOAD _use_base = 0; diff --git a/src/INTEL/dihedral_fourier_intel.cpp b/src/INTEL/dihedral_fourier_intel.cpp index e916fb4612..ec15afe8e1 100644 --- a/src/INTEL/dihedral_fourier_intel.cpp +++ b/src/INTEL/dihedral_fourier_intel.cpp @@ -364,11 +364,8 @@ void DihedralFourierIntel::init_style() { DihedralFourier::init_style(); - int ifix = modify->find_fix("package_intel"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); #ifdef _LMP_INTEL_OFFLOAD _use_base = 0; diff --git a/src/INTEL/dihedral_harmonic_intel.cpp b/src/INTEL/dihedral_harmonic_intel.cpp index c4cb94ea83..cb23d9dcaa 100644 --- a/src/INTEL/dihedral_harmonic_intel.cpp +++ b/src/INTEL/dihedral_harmonic_intel.cpp @@ -359,11 +359,8 @@ void DihedralHarmonicIntel::init_style() { DihedralHarmonic::init_style(); - int ifix = modify->find_fix("package_intel"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); #ifdef _LMP_INTEL_OFFLOAD _use_base = 0; diff --git a/src/INTEL/dihedral_opls_intel.cpp b/src/INTEL/dihedral_opls_intel.cpp index f8736d9c6b..db0618abec 100644 --- a/src/INTEL/dihedral_opls_intel.cpp +++ b/src/INTEL/dihedral_opls_intel.cpp @@ -379,11 +379,8 @@ void DihedralOPLSIntel::init_style() { DihedralOPLS::init_style(); - int ifix = modify->find_fix("package_intel"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); #ifdef _LMP_INTEL_OFFLOAD _use_base = 0; diff --git a/src/INTEL/improper_cvff_intel.cpp b/src/INTEL/improper_cvff_intel.cpp index 10cb4b72b5..36592ca796 100644 --- a/src/INTEL/improper_cvff_intel.cpp +++ b/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"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); #ifdef _LMP_INTEL_OFFLOAD _use_base = 0; diff --git a/src/INTEL/improper_harmonic_intel.cpp b/src/INTEL/improper_harmonic_intel.cpp index 2173a4b351..d4b31ca75f 100644 --- a/src/INTEL/improper_harmonic_intel.cpp +++ b/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"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); #ifdef _LMP_INTEL_OFFLOAD _use_base = 0; diff --git a/src/INTEL/nbin_intel.cpp b/src/INTEL/nbin_intel.cpp index 29bc7c9ced..4dd4e45323 100644 --- a/src/INTEL/nbin_intel.cpp +++ b/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"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - _fix = static_cast(modify->fix[ifix]); + _fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!_fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); _precision_mode = _fix->precision(); _atombin = nullptr; _binpacked = nullptr; diff --git a/src/INTEL/npair_halffull_newton_intel.cpp b/src/INTEL/npair_halffull_newton_intel.cpp index a30ff76cdb..fe2ddb375a 100644 --- a/src/INTEL/npair_halffull_newton_intel.cpp +++ b/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"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - _fix = static_cast(modify->fix[ifix]); + _fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!_fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); } /* ---------------------------------------------------------------------- diff --git a/src/INTEL/npair_intel.cpp b/src/INTEL/npair_intel.cpp index 2fffb2353a..eeed7844b3 100644 --- a/src/INTEL/npair_intel.cpp +++ b/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"); - if (ifix < 0) - error->all(FLERR,"The 'package intel' command is required for /intel styles"); - _fix = static_cast(modify->fix[ifix]); + _fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!_fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); #ifdef _LMP_INTEL_OFFLOAD _cop = _fix->coprocessor_number(); _off_map_stencil = 0; diff --git a/src/INTEL/npair_skip_intel.cpp b/src/INTEL/npair_skip_intel.cpp index 85bc84eb7d..1ebbe9c383 100644 --- a/src/INTEL/npair_skip_intel.cpp +++ b/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"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - _fix = static_cast(modify->fix[ifix]); + _fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!_fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); _inum_starts = new int[comm->nthreads]; _inum_counts = new int[comm->nthreads]; _full_props = 0; diff --git a/src/INTEL/pair_airebo_intel.cpp b/src/INTEL/pair_airebo_intel.cpp index c5fd47afd6..525d81bd61 100644 --- a/src/INTEL/pair_airebo_intel.cpp +++ b/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"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); fix->pair_init_check(); #ifdef _LMP_INTEL_OFFLOAD diff --git a/src/INTEL/pair_buck_coul_cut_intel.cpp b/src/INTEL/pair_buck_coul_cut_intel.cpp index b8d12c1453..b1e904c800 100644 --- a/src/INTEL/pair_buck_coul_cut_intel.cpp +++ b/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"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); fix->pair_init_check(); #ifdef _LMP_INTEL_OFFLOAD diff --git a/src/INTEL/pair_buck_coul_long_intel.cpp b/src/INTEL/pair_buck_coul_long_intel.cpp index 0050037ca6..70c13b42c0 100644 --- a/src/INTEL/pair_buck_coul_long_intel.cpp +++ b/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"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); fix->pair_init_check(); #ifdef _LMP_INTEL_OFFLOAD diff --git a/src/INTEL/pair_buck_intel.cpp b/src/INTEL/pair_buck_intel.cpp index b21514c3ac..889c039cae 100644 --- a/src/INTEL/pair_buck_intel.cpp +++ b/src/INTEL/pair_buck_intel.cpp @@ -383,11 +383,8 @@ void PairBuckIntel::init_style() } request->intel = 1; - int ifix = modify->find_fix("package_intel"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); fix->pair_init_check(); #ifdef _LMP_INTEL_OFFLOAD diff --git a/src/INTEL/pair_dpd_intel.cpp b/src/INTEL/pair_dpd_intel.cpp index d3527355a6..fca749ee9a 100644 --- a/src/INTEL/pair_dpd_intel.cpp +++ b/src/INTEL/pair_dpd_intel.cpp @@ -492,11 +492,8 @@ void PairDPDIntel::init_style() } request->intel = 1; - int ifix = modify->find_fix("package_intel"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); fix->pair_init_check(); #ifdef _LMP_INTEL_OFFLOAD diff --git a/src/INTEL/pair_eam_intel.cpp b/src/INTEL/pair_eam_intel.cpp index 1725012f89..67d50a7dd6 100644 --- a/src/INTEL/pair_eam_intel.cpp +++ b/src/INTEL/pair_eam_intel.cpp @@ -674,11 +674,8 @@ void PairEAMIntel::init_style() } request->intel = 1; - int ifix = modify->find_fix("package_intel"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); fix->pair_init_check(); #ifdef _LMP_INTEL_OFFLOAD diff --git a/src/INTEL/pair_gayberne_intel.cpp b/src/INTEL/pair_gayberne_intel.cpp index ea2115c06b..d76a4befc4 100644 --- a/src/INTEL/pair_gayberne_intel.cpp +++ b/src/INTEL/pair_gayberne_intel.cpp @@ -897,11 +897,8 @@ void PairGayBerneIntel::init_style() } request->intel = 1; - int ifix = modify->find_fix("package_intel"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); fix->pair_init_check(); #ifdef _LMP_INTEL_OFFLOAD diff --git a/src/INTEL/pair_lj_charmm_coul_charmm_intel.cpp b/src/INTEL/pair_lj_charmm_coul_charmm_intel.cpp index 23e357516f..8964dae921 100644 --- a/src/INTEL/pair_lj_charmm_coul_charmm_intel.cpp +++ b/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"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); fix->pair_init_check(); #ifdef _LMP_INTEL_OFFLOAD diff --git a/src/INTEL/pair_lj_charmm_coul_long_intel.cpp b/src/INTEL/pair_lj_charmm_coul_long_intel.cpp index 29efc27b07..35cb7a207a 100644 --- a/src/INTEL/pair_lj_charmm_coul_long_intel.cpp +++ b/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"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); fix->pair_init_check(); #ifdef _LMP_INTEL_OFFLOAD diff --git a/src/INTEL/pair_lj_cut_coul_long_intel.cpp b/src/INTEL/pair_lj_cut_coul_long_intel.cpp index e5b0285439..3e48008774 100644 --- a/src/INTEL/pair_lj_cut_coul_long_intel.cpp +++ b/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"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); fix->pair_init_check(); #ifdef _LMP_INTEL_OFFLOAD diff --git a/src/INTEL/pair_lj_cut_intel.cpp b/src/INTEL/pair_lj_cut_intel.cpp index 8ecb72928c..a5d4beb23f 100644 --- a/src/INTEL/pair_lj_cut_intel.cpp +++ b/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"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); fix->pair_init_check(); #ifdef _LMP_INTEL_OFFLOAD diff --git a/src/INTEL/pair_sw_intel.cpp b/src/INTEL/pair_sw_intel.cpp index 8743fbe54c..f06ab8af99 100644 --- a/src/INTEL/pair_sw_intel.cpp +++ b/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"); - if (ifix < 0) - error->all(FLERR,"The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); fix->pair_init_check(true); diff --git a/src/INTEL/pair_tersoff_intel.cpp b/src/INTEL/pair_tersoff_intel.cpp index 3165776c19..8707b313ab 100644 --- a/src/INTEL/pair_tersoff_intel.cpp +++ b/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"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); fix->pair_init_check(); fix->three_body_neighbor(1); diff --git a/src/INTEL/pppm_disp_intel.cpp b/src/INTEL/pppm_disp_intel.cpp index 67dd788653..b748623d3d 100644 --- a/src/INTEL/pppm_disp_intel.cpp +++ b/src/INTEL/pppm_disp_intel.cpp @@ -109,11 +109,8 @@ void PPPMDispIntel::init() { PPPMDisp::init(); - int ifix = modify->find_fix("package_intel"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); #ifdef _LMP_INTEL_OFFLOAD _use_base = 0; diff --git a/src/INTEL/pppm_intel.cpp b/src/INTEL/pppm_intel.cpp index 4c79ccecf5..b42a4b7598 100644 --- a/src/INTEL/pppm_intel.cpp +++ b/src/INTEL/pppm_intel.cpp @@ -93,11 +93,8 @@ PPPMIntel::~PPPMIntel() void PPPMIntel::init() { PPPM::init(); - int ifix = modify->find_fix("package_intel"); - if (ifix < 0) - error->all(FLERR, - "The 'package intel' command is required for /intel styles"); - fix = static_cast(modify->fix[ifix]); + fix = static_cast(modify->get_fix_by_id("package_intel")); + if (!fix) error->all(FLERR, "The 'package intel' command is required for /intel styles"); #ifdef _LMP_INTEL_OFFLOAD _use_base = 0;