From 06beb28d7dd747da20a5d422bd17fd47f6127c66 Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Fri, 21 Jan 2022 16:13:49 -0500 Subject: [PATCH] Apply override to Pair classes --- src/ASPHERE/pair_gayberne.h | 24 +++++------ src/ASPHERE/pair_line_lj.h | 12 +++--- src/ASPHERE/pair_resquared.h | 20 ++++----- src/ASPHERE/pair_tri_lj.h | 12 +++--- src/BODY/pair_body_nparticle.h | 12 +++--- src/BODY/pair_body_rounded_polygon.h | 12 +++--- src/BODY/pair_body_rounded_polyhedron.h | 12 +++--- src/CG-DNA/pair_oxdna2_coaxstk.h | 26 ++++++------ src/CG-DNA/pair_oxdna2_dh.h | 26 ++++++------ src/CG-DNA/pair_oxdna2_excv.h | 4 +- src/CG-DNA/pair_oxdna_coaxstk.h | 26 ++++++------ src/CG-DNA/pair_oxdna_excv.h | 26 ++++++------ src/CG-DNA/pair_oxdna_hbond.h | 26 ++++++------ src/CG-DNA/pair_oxdna_stk.h | 28 ++++++------- src/CG-DNA/pair_oxdna_xstk.h | 26 ++++++------ src/CG-DNA/pair_oxrna2_dh.h | 4 +- src/CG-DNA/pair_oxrna2_excv.h | 4 +- src/CG-DNA/pair_oxrna2_hbond.h | 1 - src/CG-DNA/pair_oxrna2_stk.h | 28 ++++++------- src/CG-DNA/pair_oxrna2_xstk.h | 26 ++++++------ src/CG-SDK/pair_lj_sdk.h | 28 ++++++------- src/CG-SDK/pair_lj_sdk_coul_long.h | 30 ++++++------- src/CG-SDK/pair_lj_sdk_coul_msm.h | 7 ++-- src/CLASS2/pair_lj_class2.h | 34 +++++++-------- src/CLASS2/pair_lj_class2_coul_cut.h | 28 ++++++------- src/CLASS2/pair_lj_class2_coul_long.h | 34 +++++++-------- src/COLLOID/pair_brownian.h | 20 ++++----- src/COLLOID/pair_brownian_poly.h | 8 ++-- src/COLLOID/pair_colloid.h | 24 +++++------ src/COLLOID/pair_lubricate.h | 24 +++++------ src/COLLOID/pair_lubricateU.h | 24 +++++------ src/COLLOID/pair_lubricateU_poly.h | 14 +++---- src/COLLOID/pair_lubricate_poly.h | 6 +-- src/COLLOID/pair_yukawa_colloid.h | 10 ++--- src/CORESHELL/pair_born_coul_dsf_cs.h | 2 +- src/CORESHELL/pair_born_coul_long_cs.h | 2 +- src/CORESHELL/pair_born_coul_wolf_cs.h | 2 +- src/CORESHELL/pair_buck_coul_long_cs.h | 2 +- src/CORESHELL/pair_coul_long_cs.h | 2 +- src/CORESHELL/pair_coul_wolf_cs.h | 2 +- src/CORESHELL/pair_lj_class2_coul_long_cs.h | 8 ++-- src/CORESHELL/pair_lj_cut_coul_long_cs.h | 8 ++-- src/DIELECTRIC/pair_coul_cut_dielectric.h | 8 ++-- src/DIELECTRIC/pair_coul_long_dielectric.h | 6 +-- .../pair_lj_cut_coul_cut_dielectric.h | 8 ++-- .../pair_lj_cut_coul_debye_dielectric.h | 8 ++-- .../pair_lj_cut_coul_long_dielectric.h | 8 ++-- .../pair_lj_cut_coul_msm_dielectric.h | 10 ++--- .../pair_lj_long_coul_long_dielectric.h | 8 ++-- src/DIPOLE/pair_lj_cut_dipole_cut.h | 22 +++++----- src/DIPOLE/pair_lj_cut_dipole_long.h | 22 +++++----- src/DIPOLE/pair_lj_long_dipole_long.h | 22 +++++----- src/DIPOLE/pair_lj_sf_dipole_sf.h | 24 +++++------ src/DPD-BASIC/pair_dpd.h | 26 ++++++------ src/DPD-BASIC/pair_dpd_ext.h | 26 ++++++------ src/DPD-BASIC/pair_dpd_ext_tstat.h | 19 ++++----- src/DPD-BASIC/pair_dpd_tstat.h | 19 ++++----- src/DPD-MESO/pair_edpd.h | 22 +++++----- src/DPD-MESO/pair_mdpd.h | 24 +++++------ src/DPD-MESO/pair_mdpd_rhosum.h | 18 ++++---- src/DPD-MESO/pair_tdpd.h | 22 +++++----- src/DPD-REACT/pair_dpd_fdt.h | 22 +++++----- src/DPD-REACT/pair_dpd_fdt_energy.h | 26 ++++++------ src/DPD-REACT/pair_exp6_rx.h | 20 ++++----- src/DPD-REACT/pair_multi_lucy.h | 26 ++++++------ src/DPD-REACT/pair_multi_lucy_rx.h | 26 ++++++------ src/DPD-REACT/pair_table_rx.h | 10 ++--- .../pair_sdpd_taitwater_isothermal.h | 12 +++--- src/DRUDE/pair_coul_tt.h | 24 +++++------ src/DRUDE/pair_lj_cut_thole_long.h | 26 ++++++------ src/DRUDE/pair_thole.h | 24 +++++------ src/EFF/pair_eff_cut.h | 28 ++++++------- src/EXTRA-PAIR/pair_beck.h | 20 ++++----- src/EXTRA-PAIR/pair_born_coul_dsf.h | 26 ++++++------ src/EXTRA-PAIR/pair_born_coul_wolf.h | 26 ++++++------ src/EXTRA-PAIR/pair_buck_mdf.h | 22 +++++----- src/EXTRA-PAIR/pair_cosine_squared.h | 26 ++++++------ src/EXTRA-PAIR/pair_coul_cut_global.h | 4 +- src/EXTRA-PAIR/pair_coul_diel.h | 22 +++++----- src/EXTRA-PAIR/pair_coul_exclude.h | 28 ++++++------- src/EXTRA-PAIR/pair_coul_slater_cut.h | 10 ++--- src/EXTRA-PAIR/pair_coul_slater_long.h | 24 +++++------ src/EXTRA-PAIR/pair_e3b.h | 12 +++--- src/EXTRA-PAIR/pair_gauss.h | 26 ++++++------ src/EXTRA-PAIR/pair_gauss_cut.h | 26 ++++++------ src/EXTRA-PAIR/pair_harmonic_cut.h | 26 ++++++------ src/EXTRA-PAIR/pair_lennard_mdf.h | 26 ++++++------ src/EXTRA-PAIR/pair_lj96_cut.h | 32 +++++++------- src/EXTRA-PAIR/pair_lj_cubic.h | 20 ++++----- src/EXTRA-PAIR/pair_lj_cut_coul_debye.h | 12 +++--- src/EXTRA-PAIR/pair_lj_cut_coul_dsf.h | 24 +++++------ src/EXTRA-PAIR/pair_lj_cut_coul_wolf.h | 24 +++++------ src/EXTRA-PAIR/pair_lj_expand_coul_long.h | 34 +++++++-------- src/EXTRA-PAIR/pair_lj_gromacs.h | 24 +++++------ src/EXTRA-PAIR/pair_lj_gromacs_coul_gromacs.h | 26 ++++++------ src/EXTRA-PAIR/pair_lj_mdf.h | 26 ++++++------ src/EXTRA-PAIR/pair_lj_relres.h | 24 +++++------ src/EXTRA-PAIR/pair_lj_smooth.h | 24 +++++------ src/EXTRA-PAIR/pair_lj_smooth_linear.h | 22 +++++----- src/EXTRA-PAIR/pair_mie_cut.h | 30 ++++++------- src/EXTRA-PAIR/pair_momb.h | 20 ++++----- src/EXTRA-PAIR/pair_morse_smooth_linear.h | 26 ++++++------ src/EXTRA-PAIR/pair_nm_cut.h | 26 ++++++------ src/EXTRA-PAIR/pair_nm_cut_coul_cut.h | 28 ++++++------- src/EXTRA-PAIR/pair_nm_cut_coul_long.h | 28 ++++++------- src/EXTRA-PAIR/pair_nm_cut_split.h | 4 +- src/EXTRA-PAIR/pair_ufm.h | 26 ++++++------ src/EXTRA-PAIR/pair_wf_cut.h | 26 ++++++------ src/FEP/pair_coul_cut_soft.h | 28 ++++++------- src/FEP/pair_coul_long_soft.h | 24 +++++------ src/FEP/pair_lj_charmm_coul_long_soft.h | 34 +++++++-------- src/FEP/pair_lj_class2_coul_cut_soft.h | 28 ++++++------- src/FEP/pair_lj_class2_coul_long_soft.h | 28 ++++++------- src/FEP/pair_lj_class2_soft.h | 26 ++++++------ src/FEP/pair_lj_cut_coul_cut_soft.h | 28 ++++++------- src/FEP/pair_lj_cut_coul_long_soft.h | 34 +++++++-------- src/FEP/pair_lj_cut_soft.h | 34 +++++++-------- src/FEP/pair_lj_cut_tip4p_long_soft.h | 18 ++++---- src/FEP/pair_morse_soft.h | 28 ++++++------- src/FEP/pair_tip4p_long_soft.h | 18 ++++---- src/GPU/pair_beck_gpu.h | 8 ++-- src/GPU/pair_born_coul_long_cs_gpu.h | 8 ++-- src/GPU/pair_born_coul_long_gpu.h | 8 ++-- src/GPU/pair_born_coul_wolf_cs_gpu.h | 8 ++-- src/GPU/pair_born_coul_wolf_gpu.h | 8 ++-- src/GPU/pair_born_gpu.h | 10 ++--- src/GPU/pair_buck_coul_cut_gpu.h | 8 ++-- src/GPU/pair_buck_coul_long_gpu.h | 8 ++-- src/GPU/pair_buck_gpu.h | 10 ++--- src/GPU/pair_colloid_gpu.h | 8 ++-- src/GPU/pair_coul_cut_gpu.h | 10 ++--- src/GPU/pair_coul_debye_gpu.h | 10 ++--- src/GPU/pair_coul_dsf_gpu.h | 8 ++-- src/GPU/pair_coul_long_cs_gpu.h | 10 ++--- src/GPU/pair_coul_long_gpu.h | 10 ++--- src/GPU/pair_dpd_gpu.h | 8 ++-- src/GPU/pair_dpd_tstat_gpu.h | 8 ++-- src/GPU/pair_eam_alloy_gpu.h | 22 +++++----- src/GPU/pair_eam_fs_gpu.h | 22 +++++----- src/GPU/pair_eam_gpu.h | 16 +++---- src/GPU/pair_gauss_gpu.h | 10 ++--- src/GPU/pair_gayberne_gpu.h | 8 ++-- src/GPU/pair_lj96_cut_gpu.h | 8 ++-- src/GPU/pair_lj_charmm_coul_charmm_gpu.h | 8 ++-- src/GPU/pair_lj_charmm_coul_long_gpu.h | 8 ++-- src/GPU/pair_lj_class2_coul_long_gpu.h | 8 ++-- src/GPU/pair_lj_class2_gpu.h | 8 ++-- src/GPU/pair_lj_cubic_gpu.h | 8 ++-- src/GPU/pair_lj_cut_coul_cut_gpu.h | 8 ++-- src/GPU/pair_lj_cut_coul_debye_gpu.h | 8 ++-- src/GPU/pair_lj_cut_coul_dsf_gpu.h | 8 ++-- src/GPU/pair_lj_cut_coul_long_gpu.h | 10 ++--- src/GPU/pair_lj_cut_coul_msm_gpu.h | 8 ++-- src/GPU/pair_lj_cut_dipole_cut_gpu.h | 8 ++-- src/GPU/pair_lj_cut_dipole_long_gpu.h | 8 ++-- src/GPU/pair_lj_cut_gpu.h | 10 ++--- src/GPU/pair_lj_cut_tip4p_long_gpu.h | 8 ++-- src/GPU/pair_lj_expand_coul_long_gpu.h | 10 ++--- src/GPU/pair_lj_expand_gpu.h | 10 ++--- src/GPU/pair_lj_gromacs_gpu.h | 8 ++-- src/GPU/pair_lj_sdk_coul_long_gpu.h | 8 ++-- src/GPU/pair_lj_sdk_gpu.h | 8 ++-- src/GPU/pair_lj_sf_dipole_sf_gpu.h | 8 ++-- src/GPU/pair_lj_smooth_gpu.h | 10 ++--- src/GPU/pair_mie_cut_gpu.h | 8 ++-- src/GPU/pair_morse_gpu.h | 8 ++-- src/GPU/pair_resquared_gpu.h | 8 ++-- src/GPU/pair_soft_gpu.h | 10 ++--- src/GPU/pair_sw_gpu.h | 10 ++--- src/GPU/pair_table_gpu.h | 8 ++-- src/GPU/pair_tersoff_gpu.h | 10 ++--- src/GPU/pair_tersoff_mod_gpu.h | 10 ++--- src/GPU/pair_tersoff_zbl_gpu.h | 10 ++--- src/GPU/pair_ufm_gpu.h | 10 ++--- src/GPU/pair_vashishta_gpu.h | 8 ++-- src/GPU/pair_yukawa_colloid_gpu.h | 8 ++-- src/GPU/pair_yukawa_gpu.h | 8 ++-- src/GPU/pair_zbl_gpu.h | 8 ++-- src/GRANULAR/pair_gran_hertz_history.h | 6 +-- src/GRANULAR/pair_gran_hooke.h | 4 +- src/GRANULAR/pair_gran_hooke_history.h | 34 +++++++-------- src/GRANULAR/pair_granular.h | 32 +++++++------- src/INTEL/pair_airebo_intel.h | 6 +-- src/INTEL/pair_airebo_morse_intel.h | 2 +- src/INTEL/pair_buck_coul_cut_intel.h | 6 +-- src/INTEL/pair_buck_coul_long_intel.h | 6 +-- src/INTEL/pair_buck_intel.h | 6 +-- src/INTEL/pair_dpd_intel.h | 10 ++--- src/INTEL/pair_eam_alloy_intel.h | 8 ++-- src/INTEL/pair_eam_fs_intel.h | 8 ++-- src/INTEL/pair_eam_intel.h | 10 ++--- src/INTEL/pair_gayberne_intel.h | 4 +- src/INTEL/pair_lj_charmm_coul_charmm_intel.h | 6 +-- src/INTEL/pair_lj_charmm_coul_long_intel.h | 6 +-- src/INTEL/pair_lj_cut_coul_long_intel.h | 6 +-- src/INTEL/pair_lj_cut_intel.h | 4 +- src/INTEL/pair_lj_long_coul_long_intel.h | 2 +- src/INTEL/pair_rebo_intel.h | 2 +- src/INTEL/pair_sw_intel.h | 8 ++-- src/INTERLAYER/pair_coul_shield.h | 22 +++++----- src/INTERLAYER/pair_drip.h | 12 +++--- src/INTERLAYER/pair_ilp_graphene_hbn.h | 14 +++---- src/INTERLAYER/pair_kolmogorov_crespi_full.h | 14 +++---- src/INTERLAYER/pair_kolmogorov_crespi_z.h | 12 +++--- src/INTERLAYER/pair_lebedeva_z.h | 12 +++--- src/KOKKOS/pair_buck_coul_cut_kokkos.h | 12 +++--- src/KOKKOS/pair_buck_coul_long_kokkos.h | 14 +++---- src/KOKKOS/pair_buck_kokkos.h | 10 ++--- src/KOKKOS/pair_coul_cut_kokkos.h | 12 +++--- src/KOKKOS/pair_coul_debye_kokkos.h | 12 +++--- src/KOKKOS/pair_coul_dsf_kokkos.h | 6 +-- src/KOKKOS/pair_coul_long_kokkos.h | 14 +++---- src/KOKKOS/pair_coul_wolf_kokkos.h | 6 +-- src/KOKKOS/pair_dpd_fdt_energy_kokkos.h | 10 ++--- src/KOKKOS/pair_eam_alloy_kokkos.h | 28 ++++++------- src/KOKKOS/pair_eam_fs_kokkos.h | 28 ++++++------- src/KOKKOS/pair_eam_kokkos.h | 24 +++++------ src/KOKKOS/pair_exp6_rx_kokkos.h | 14 +++---- src/KOKKOS/pair_gran_hooke_history_kokkos.h | 6 +-- src/KOKKOS/pair_hybrid_kokkos.h | 4 +- src/KOKKOS/pair_hybrid_overlay_kokkos.h | 3 +- ...ir_lj_charmm_coul_charmm_implicit_kokkos.h | 14 +++---- .../pair_lj_charmm_coul_charmm_kokkos.h | 14 +++---- src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h | 12 +++--- src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h | 12 +++--- src/KOKKOS/pair_lj_class2_coul_long_kokkos.h | 14 +++---- src/KOKKOS/pair_lj_class2_kokkos.h | 12 +++--- src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h | 12 +++--- src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h | 12 +++--- src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h | 10 ++--- src/KOKKOS/pair_lj_cut_coul_long_kokkos.h | 14 +++---- src/KOKKOS/pair_lj_cut_kokkos.h | 12 +++--- src/KOKKOS/pair_lj_expand_kokkos.h | 12 +++--- .../pair_lj_gromacs_coul_gromacs_kokkos.h | 14 +++---- src/KOKKOS/pair_lj_gromacs_kokkos.h | 12 +++--- src/KOKKOS/pair_lj_sdk_kokkos.h | 12 +++--- src/KOKKOS/pair_morse_kokkos.h | 12 +++--- src/KOKKOS/pair_multi_lucy_rx_kokkos.h | 22 +++++----- src/KOKKOS/pair_snap_kokkos.h | 24 +++++------ src/KOKKOS/pair_sw_kokkos.h | 10 ++--- src/KOKKOS/pair_table_kokkos.h | 14 +++---- src/KOKKOS/pair_table_rx_kokkos.h | 18 ++++---- src/KOKKOS/pair_tersoff_kokkos.h | 10 ++--- src/KOKKOS/pair_tersoff_mod_kokkos.h | 10 ++--- src/KOKKOS/pair_tersoff_zbl_kokkos.h | 10 ++--- src/KOKKOS/pair_vashishta_kokkos.h | 10 ++--- src/KOKKOS/pair_yukawa_kokkos.h | 10 ++--- src/KOKKOS/pair_zbl_kokkos.h | 10 ++--- src/KSPACE/pair_born_coul_long.h | 28 ++++++------- src/KSPACE/pair_born_coul_msm.h | 8 ++-- src/KSPACE/pair_buck_coul_long.h | 28 ++++++------- src/KSPACE/pair_buck_coul_msm.h | 8 ++-- src/KSPACE/pair_buck_long_coul_long.h | 34 +++++++-------- src/KSPACE/pair_coul_long.h | 24 +++++------ src/KSPACE/pair_coul_msm.h | 8 ++-- src/KSPACE/pair_coul_streitz.h | 16 +++---- src/KSPACE/pair_lj_charmm_coul_long.h | 34 +++++++-------- src/KSPACE/pair_lj_charmm_coul_msm.h | 10 ++--- src/KSPACE/pair_lj_charmmfsw_coul_long.h | 34 +++++++-------- src/KSPACE/pair_lj_cut_coul_long.h | 34 +++++++-------- src/KSPACE/pair_lj_cut_coul_msm.h | 10 ++--- src/KSPACE/pair_lj_cut_tip4p_long.h | 18 ++++---- src/KSPACE/pair_lj_long_coul_long.h | 34 +++++++-------- src/KSPACE/pair_lj_long_tip4p_long.h | 24 +++++------ src/KSPACE/pair_tip4p_long.h | 18 ++++---- src/KSPACE/pppm_disp_tip4p.h | 2 +- src/MACHDYN/pair_smd_hertz.h | 18 ++++---- src/MANYBODY/pair_adp.h | 22 +++++----- src/MANYBODY/pair_airebo.h | 14 +++---- src/MANYBODY/pair_airebo_morse.h | 2 +- src/MANYBODY/pair_atm.h | 20 ++++----- src/MANYBODY/pair_bop.h | 14 +++---- src/MANYBODY/pair_comb.h | 22 +++++----- src/MANYBODY/pair_comb3.h | 22 +++++----- src/MANYBODY/pair_eam.h | 28 ++++++------- src/MANYBODY/pair_eam_alloy.h | 7 ++-- src/MANYBODY/pair_eam_cd.h | 18 ++++---- src/MANYBODY/pair_eam_fs.h | 8 ++-- src/MANYBODY/pair_eam_he.h | 3 +- src/MANYBODY/pair_edip.h | 12 +++--- src/MANYBODY/pair_edip_multi.h | 14 +++---- src/MANYBODY/pair_eim.h | 22 +++++----- src/MANYBODY/pair_extep.h | 14 +++---- src/MANYBODY/pair_gw.h | 12 +++--- src/MANYBODY/pair_gw_zbl.h | 9 ++-- src/MANYBODY/pair_lcbop.h | 14 +++---- src/MANYBODY/pair_local_density.h | 24 +++++------ src/MANYBODY/pair_meam_spline.h | 24 +++++------ src/MANYBODY/pair_meam_sw_spline.h | 24 +++++------ src/MANYBODY/pair_nb3b_harmonic.h | 12 +++--- src/MANYBODY/pair_polymorphic.h | 12 +++--- src/MANYBODY/pair_rebo.h | 4 +- src/MANYBODY/pair_sw.h | 12 +++--- src/MANYBODY/pair_sw_mod.h | 5 +-- src/MANYBODY/pair_tersoff.h | 12 +++--- src/MANYBODY/pair_tersoff_mod.h | 17 ++++---- src/MANYBODY/pair_tersoff_mod_c.h | 5 +-- src/MANYBODY/pair_tersoff_table.h | 12 +++--- src/MANYBODY/pair_tersoff_zbl.h | 9 ++-- src/MANYBODY/pair_vashishta.h | 12 +++--- src/MANYBODY/pair_vashishta_table.h | 10 ++--- src/MC/pair_dsmc.h | 20 ++++----- src/MEAM/pair_meam.h | 26 ++++++------ src/MESONT/pair_mesocnt.h | 12 +++--- src/MESONT/pair_mesont_tpm.h | 26 ++++++------ src/MGPT/pair_mgpt.h | 14 +++---- src/MISC/pair_agni.h | 12 +++--- src/MISC/pair_list.h | 14 +++---- src/MISC/pair_srp.h | 24 +++++------ src/MISC/pair_tracker.h | 28 ++++++------- src/ML-IAP/mliap_descriptor_so3.h | 14 +++---- src/ML-IAP/mliap_model.h | 2 +- src/ML-IAP/mliap_model_nn.h | 16 +++---- src/ML-IAP/pair_mliap.h | 14 +++---- src/ML-QUIP/pair_quip.h | 12 +++--- src/ML-RANN/pair_rann.h | 14 +++---- src/ML-RANN/rann_activation_linear.h | 6 +-- src/ML-RANN/rann_activation_sig_i.h | 6 +-- src/ML-RANN/rann_fingerprint_bond.h | 14 +++---- src/ML-RANN/rann_fingerprint_bondscreened.h | 14 +++---- .../rann_fingerprint_bondscreenedspin.h | 14 +++---- src/ML-RANN/rann_fingerprint_bondspin.h | 16 +++---- src/ML-RANN/rann_fingerprint_radial.h | 14 +++---- src/ML-RANN/rann_fingerprint_radialscreened.h | 14 +++---- .../rann_fingerprint_radialscreenedspin.h | 16 +++---- src/ML-RANN/rann_fingerprint_radialspin.h | 14 +++---- src/ML-SNAP/pair_snap.h | 16 +++---- src/MOFFF/pair_buck6d_coul_gauss_dsf.h | 28 ++++++------- src/MOFFF/pair_buck6d_coul_gauss_long.h | 28 ++++++------- src/MOLECULE/pair_hbond_dreiding_lj.h | 14 +++---- src/MOLECULE/pair_hbond_dreiding_morse.h | 10 ++--- src/MOLECULE/pair_lj_charmm_coul_charmm.h | 28 ++++++------- .../pair_lj_charmm_coul_charmm_implicit.h | 4 +- .../pair_lj_charmmfsw_coul_charmmfsh.h | 28 ++++++------- src/MOLECULE/pair_lj_cut_tip4p_cut.h | 28 ++++++------- src/MOLECULE/pair_tip4p_cut.h | 22 +++++----- src/OPENMP/pair_adp_omp.h | 4 +- src/OPENMP/pair_agni_omp.h | 4 +- src/OPENMP/pair_airebo_morse_omp.h | 2 +- src/OPENMP/pair_airebo_omp.h | 4 +- src/OPENMP/pair_beck_omp.h | 4 +- src/OPENMP/pair_born_coul_long_omp.h | 4 +- src/OPENMP/pair_born_coul_msm_omp.h | 4 +- src/OPENMP/pair_born_coul_wolf_omp.h | 4 +- src/OPENMP/pair_born_omp.h | 4 +- src/OPENMP/pair_brownian_omp.h | 6 +-- src/OPENMP/pair_brownian_poly_omp.h | 6 +-- src/OPENMP/pair_buck_coul_cut_omp.h | 4 +- src/OPENMP/pair_buck_coul_long_omp.h | 4 +- src/OPENMP/pair_buck_coul_msm_omp.h | 4 +- src/OPENMP/pair_buck_long_coul_long_omp.h | 8 ++-- src/OPENMP/pair_buck_omp.h | 4 +- src/OPENMP/pair_colloid_omp.h | 4 +- src/OPENMP/pair_comb_omp.h | 6 +-- src/OPENMP/pair_coul_cut_global_omp.h | 4 +- src/OPENMP/pair_coul_cut_omp.h | 4 +- src/OPENMP/pair_coul_cut_soft_omp.h | 4 +- src/OPENMP/pair_coul_debye_omp.h | 4 +- src/OPENMP/pair_coul_diel_omp.h | 4 +- src/OPENMP/pair_coul_dsf_omp.h | 4 +- src/OPENMP/pair_coul_long_omp.h | 4 +- src/OPENMP/pair_coul_long_soft_omp.h | 4 +- src/OPENMP/pair_coul_msm_omp.h | 4 +- src/OPENMP/pair_coul_wolf_omp.h | 4 +- src/OPENMP/pair_dpd_omp.h | 6 +-- src/OPENMP/pair_dpd_tstat_omp.h | 6 +-- src/OPENMP/pair_eam_alloy_omp.h | 8 ++-- src/OPENMP/pair_eam_fs_omp.h | 8 ++-- src/OPENMP/pair_eam_omp.h | 4 +- src/OPENMP/pair_edip_omp.h | 4 +- src/OPENMP/pair_eim_omp.h | 4 +- src/OPENMP/pair_gauss_cut_omp.h | 4 +- src/OPENMP/pair_gauss_omp.h | 4 +- src/OPENMP/pair_gayberne_omp.h | 4 +- src/OPENMP/pair_gran_hertz_history_omp.h | 4 +- src/OPENMP/pair_gran_hooke_history_omp.h | 4 +- src/OPENMP/pair_gran_hooke_omp.h | 4 +- src/OPENMP/pair_harmonic_cut_omp.h | 4 +- src/OPENMP/pair_hbond_dreiding_lj_omp.h | 6 +-- src/OPENMP/pair_hbond_dreiding_morse_omp.h | 6 +-- src/OPENMP/pair_lj96_cut_omp.h | 4 +- .../pair_lj_charmm_coul_charmm_implicit_omp.h | 4 +- src/OPENMP/pair_lj_charmm_coul_charmm_omp.h | 4 +- src/OPENMP/pair_lj_charmm_coul_long_omp.h | 4 +- .../pair_lj_charmm_coul_long_soft_omp.h | 4 +- src/OPENMP/pair_lj_charmm_coul_msm_omp.h | 4 +- src/OPENMP/pair_lj_class2_coul_cut_omp.h | 4 +- src/OPENMP/pair_lj_class2_coul_long_omp.h | 4 +- src/OPENMP/pair_lj_class2_omp.h | 4 +- src/OPENMP/pair_lj_cubic_omp.h | 4 +- .../pair_lj_cut_coul_cut_dielectric_omp.h | 4 +- src/OPENMP/pair_lj_cut_coul_cut_omp.h | 4 +- src/OPENMP/pair_lj_cut_coul_cut_soft_omp.h | 4 +- src/OPENMP/pair_lj_cut_coul_debye_omp.h | 4 +- src/OPENMP/pair_lj_cut_coul_dsf_omp.h | 4 +- .../pair_lj_cut_coul_long_dielectric_omp.h | 4 +- src/OPENMP/pair_lj_cut_coul_long_omp.h | 4 +- src/OPENMP/pair_lj_cut_coul_long_soft_omp.h | 4 +- src/OPENMP/pair_lj_cut_coul_msm_omp.h | 4 +- src/OPENMP/pair_lj_cut_coul_wolf_omp.h | 4 +- src/OPENMP/pair_lj_cut_dipole_cut_omp.h | 4 +- src/OPENMP/pair_lj_cut_omp.h | 4 +- src/OPENMP/pair_lj_cut_soft_omp.h | 4 +- src/OPENMP/pair_lj_cut_thole_long_omp.h | 2 +- src/OPENMP/pair_lj_cut_tip4p_cut_omp.h | 6 +-- src/OPENMP/pair_lj_cut_tip4p_long_omp.h | 6 +-- src/OPENMP/pair_lj_cut_tip4p_long_soft_omp.h | 6 +-- src/OPENMP/pair_lj_expand_omp.h | 4 +- src/OPENMP/pair_lj_gromacs_coul_gromacs_omp.h | 4 +- src/OPENMP/pair_lj_gromacs_omp.h | 4 +- src/OPENMP/pair_lj_long_coul_long_omp.h | 10 ++--- src/OPENMP/pair_lj_long_tip4p_long_omp.h | 12 +++--- src/OPENMP/pair_lj_relres_omp.h | 4 +- src/OPENMP/pair_lj_sdk_coul_long_omp.h | 4 +- src/OPENMP/pair_lj_sdk_coul_msm_omp.h | 4 +- src/OPENMP/pair_lj_sdk_omp.h | 4 +- src/OPENMP/pair_lj_sf_dipole_sf_omp.h | 4 +- src/OPENMP/pair_lj_smooth_linear_omp.h | 4 +- src/OPENMP/pair_lj_smooth_omp.h | 4 +- src/OPENMP/pair_lubricate_omp.h | 6 +-- src/OPENMP/pair_lubricate_poly_omp.h | 6 +-- src/OPENMP/pair_meam_spline_omp.h | 4 +- src/OPENMP/pair_morse_omp.h | 4 +- src/OPENMP/pair_morse_smooth_linear_omp.h | 4 +- src/OPENMP/pair_nm_cut_coul_cut_omp.h | 4 +- src/OPENMP/pair_nm_cut_coul_long_omp.h | 4 +- src/OPENMP/pair_nm_cut_omp.h | 4 +- src/OPENMP/pair_peri_lps_omp.h | 4 +- src/OPENMP/pair_peri_pmb_omp.h | 4 +- src/OPENMP/pair_reaxff_omp.h | 8 ++-- src/OPENMP/pair_rebo_omp.h | 4 +- src/OPENMP/pair_resquared_omp.h | 4 +- src/OPENMP/pair_soft_omp.h | 4 +- src/OPENMP/pair_sw_mod_omp.h | 5 +-- src/OPENMP/pair_sw_omp.h | 4 +- src/OPENMP/pair_table_omp.h | 4 +- src/OPENMP/pair_tersoff_mod_c_omp.h | 4 +- src/OPENMP/pair_tersoff_mod_omp.h | 4 +- src/OPENMP/pair_tersoff_omp.h | 4 +- src/OPENMP/pair_tersoff_table_omp.h | 10 ++--- src/OPENMP/pair_tersoff_zbl_omp.h | 7 ++-- src/OPENMP/pair_tip4p_cut_omp.h | 6 +-- src/OPENMP/pair_tip4p_long_omp.h | 6 +-- src/OPENMP/pair_tip4p_long_soft_omp.h | 6 +-- src/OPENMP/pair_ufm_omp.h | 4 +- src/OPENMP/pair_vashishta_omp.h | 4 +- src/OPENMP/pair_vashishta_table_omp.h | 4 +- src/OPENMP/pair_yukawa_colloid_omp.h | 4 +- src/OPENMP/pair_yukawa_omp.h | 4 +- src/OPENMP/pair_zbl_omp.h | 4 +- src/OPT/pair_eam_alloy_opt.h | 1 - src/OPT/pair_eam_fs_opt.h | 1 - src/OPT/pair_eam_opt.h | 4 +- src/OPT/pair_lj_charmm_coul_long_opt.h | 2 +- src/OPT/pair_lj_cut_coul_long_opt.h | 2 +- src/OPT/pair_lj_cut_opt.h | 2 +- src/OPT/pair_lj_cut_tip4p_long_opt.h | 5 +-- src/OPT/pair_lj_long_coul_long_opt.h | 4 +- src/OPT/pair_morse_opt.h | 2 +- src/OPT/pair_ufm_opt.h | 2 +- src/PERI/pair_peri.h | 14 +++---- src/PERI/pair_peri_eps.h | 15 ++++--- src/PERI/pair_peri_lps.h | 15 ++++--- src/PERI/pair_peri_pmb.h | 17 ++++---- src/PERI/pair_peri_ves.h | 15 ++++--- src/REAXFF/pair_reaxff.h | 18 ++++---- src/REPLICA/hyper.h | 2 +- src/REPLICA/prd.h | 2 +- src/SMTBQ/pair_smtbq.h | 22 +++++----- src/SPH/pair_sph_heatconduction.h | 12 +++--- src/SPH/pair_sph_idealgas.h | 12 +++--- src/SPH/pair_sph_lj.h | 12 +++--- src/SPH/pair_sph_rhosum.h | 18 ++++---- src/SPH/pair_sph_taitwater.h | 10 ++--- src/SPH/pair_sph_taitwater_morris.h | 10 ++--- src/SPIN/pair_spin.h | 14 +++---- src/SPIN/pair_spin_dipole_cut.h | 24 +++++------ src/SPIN/pair_spin_dipole_long.h | 26 ++++++------ src/SPIN/pair_spin_dmi.h | 24 +++++------ src/SPIN/pair_spin_exchange.h | 24 +++++------ src/SPIN/pair_spin_exchange_biquadratic.h | 24 +++++------ src/SPIN/pair_spin_magelec.h | 24 +++++------ src/SPIN/pair_spin_neel.h | 24 +++++------ src/YAFF/pair_lj_switch3_coulgauss_long.h | 28 ++++++------- src/YAFF/pair_mm3_switch3_coulgauss_long.h | 28 ++++++------- src/compute_erotate_sphere.h | 2 +- src/dump_deprecated.h | 2 +- src/file_writer.h | 2 - src/pair_born.h | 26 ++++++------ src/pair_buck.h | 26 ++++++------ src/pair_buck_coul_cut.h | 28 ++++++------- src/pair_coul_cut.h | 28 ++++++------- src/pair_coul_debye.h | 10 ++--- src/pair_coul_dsf.h | 24 +++++------ src/pair_coul_wolf.h | 22 +++++----- src/pair_deprecated.h | 7 ++-- src/pair_hybrid.h | 42 +++++++++---------- src/pair_hybrid_overlay.h | 8 ++-- src/pair_hybrid_scaled.h | 18 ++++---- src/pair_lj_cut.h | 34 +++++++-------- src/pair_lj_cut_coul_cut.h | 28 ++++++------- src/pair_lj_expand.h | 26 ++++++------ src/pair_morse.h | 26 ++++++------ src/pair_soft.h | 26 ++++++------ src/pair_table.h | 22 +++++----- src/pair_yukawa.h | 24 +++++------ src/pair_zbl.h | 26 ++++++------ src/pair_zero.h | 26 ++++++------ src/reader.h | 1 - src/region_deprecated.h | 2 +- src/text_file_reader.h | 2 - src/tokenizer.h | 2 - 512 files changed, 3316 insertions(+), 3345 deletions(-) diff --git a/src/ASPHERE/pair_gayberne.h b/src/ASPHERE/pair_gayberne.h index 59ee1a0f97..a4bc07587f 100644 --- a/src/ASPHERE/pair_gayberne.h +++ b/src/ASPHERE/pair_gayberne.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairGayBerne : public Pair { public: PairGayBerne(LAMMPS *lmp); - virtual ~PairGayBerne(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); + ~PairGayBerne() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; protected: enum { SPHERE_SPHERE, SPHERE_ELLIPSE, ELLIPSE_SPHERE, ELLIPSE_ELLIPSE }; diff --git a/src/ASPHERE/pair_line_lj.h b/src/ASPHERE/pair_line_lj.h index ac345ba3e4..c76d601b2f 100644 --- a/src/ASPHERE/pair_line_lj.h +++ b/src/ASPHERE/pair_line_lj.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairLineLJ : public Pair { public: PairLineLJ(class LAMMPS *); - virtual ~PairLineLJ(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - double init_one(int, int); + ~PairLineLJ() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; protected: double cut_global; diff --git a/src/ASPHERE/pair_resquared.h b/src/ASPHERE/pair_resquared.h index b548311ed5..3f09ca50d8 100644 --- a/src/ASPHERE/pair_resquared.h +++ b/src/ASPHERE/pair_resquared.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class PairRESquared : public Pair { public: PairRESquared(LAMMPS *lmp); - virtual ~PairRESquared(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); + ~PairRESquared() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; protected: enum { SPHERE_SPHERE, SPHERE_ELLIPSE, ELLIPSE_SPHERE, ELLIPSE_ELLIPSE }; diff --git a/src/ASPHERE/pair_tri_lj.h b/src/ASPHERE/pair_tri_lj.h index beda914f4a..918a90916e 100644 --- a/src/ASPHERE/pair_tri_lj.h +++ b/src/ASPHERE/pair_tri_lj.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairTriLJ : public Pair { public: PairTriLJ(class LAMMPS *); - virtual ~PairTriLJ(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - double init_one(int, int); + ~PairTriLJ() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; protected: double cut_global; diff --git a/src/BODY/pair_body_nparticle.h b/src/BODY/pair_body_nparticle.h index dad44a38e3..1f3d706201 100644 --- a/src/BODY/pair_body_nparticle.h +++ b/src/BODY/pair_body_nparticle.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairBodyNparticle : public Pair { public: PairBodyNparticle(class LAMMPS *); - ~PairBodyNparticle(); - void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); + ~PairBodyNparticle() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; protected: double cut_global; diff --git a/src/BODY/pair_body_rounded_polygon.h b/src/BODY/pair_body_rounded_polygon.h index b5a9d7969e..adce835f20 100644 --- a/src/BODY/pair_body_rounded_polygon.h +++ b/src/BODY/pair_body_rounded_polygon.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairBodyRoundedPolygon : public Pair { public: PairBodyRoundedPolygon(class LAMMPS *); - ~PairBodyRoundedPolygon(); - void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); + ~PairBodyRoundedPolygon() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; struct Contact { int ibody, jbody; // body (i.e. atom) indices (not tags) diff --git a/src/BODY/pair_body_rounded_polyhedron.h b/src/BODY/pair_body_rounded_polyhedron.h index 4cc225a296..457583b9b1 100644 --- a/src/BODY/pair_body_rounded_polyhedron.h +++ b/src/BODY/pair_body_rounded_polyhedron.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairBodyRoundedPolyhedron : public Pair { public: PairBodyRoundedPolyhedron(class LAMMPS *); - ~PairBodyRoundedPolyhedron(); - void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); + ~PairBodyRoundedPolyhedron() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; virtual void kernel_force(double R, int itype, int jtype, double &energy, double &fpair); diff --git a/src/CG-DNA/pair_oxdna2_coaxstk.h b/src/CG-DNA/pair_oxdna2_coaxstk.h index 2a323be579..4fe52b6e9b 100644 --- a/src/CG-DNA/pair_oxdna2_coaxstk.h +++ b/src/CG-DNA/pair_oxdna2_coaxstk.h @@ -27,19 +27,19 @@ namespace LAMMPS_NS { class PairOxdna2Coaxstk : public Pair { public: PairOxdna2Coaxstk(class LAMMPS *); - virtual ~PairOxdna2Coaxstk(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_list(int, class NeighList *); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - void *extract(const char *, int &); + ~PairOxdna2Coaxstk() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_list(int, class NeighList *) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + void *extract(const char *, int &) override; protected: // coaxial stacking interaction diff --git a/src/CG-DNA/pair_oxdna2_dh.h b/src/CG-DNA/pair_oxdna2_dh.h index 925b53e322..5c79641935 100644 --- a/src/CG-DNA/pair_oxdna2_dh.h +++ b/src/CG-DNA/pair_oxdna2_dh.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairOxdna2Dh : public Pair { public: PairOxdna2Dh(class LAMMPS *); - virtual ~PairOxdna2Dh(); + ~PairOxdna2Dh() override; virtual void compute_interaction_sites(double *, double *, double *, double *); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_list(int, class NeighList *); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - void *extract(const char *, int &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_list(int, class NeighList *) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + void *extract(const char *, int &) override; protected: double **qeff_dh_pf, **kappa_dh; diff --git a/src/CG-DNA/pair_oxdna2_excv.h b/src/CG-DNA/pair_oxdna2_excv.h index 0fc51406ad..6c37ed9dc8 100644 --- a/src/CG-DNA/pair_oxdna2_excv.h +++ b/src/CG-DNA/pair_oxdna2_excv.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class PairOxdna2Excv : public PairOxdnaExcv { public: PairOxdna2Excv(class LAMMPS *lmp) : PairOxdnaExcv(lmp) {} - virtual ~PairOxdna2Excv() {} - virtual void compute_interaction_sites(double *, double *, double *, double *, double *); + + void compute_interaction_sites(double *, double *, double *, double *, double *) override; }; } // namespace LAMMPS_NS diff --git a/src/CG-DNA/pair_oxdna_coaxstk.h b/src/CG-DNA/pair_oxdna_coaxstk.h index 5771bbe592..86538a432f 100644 --- a/src/CG-DNA/pair_oxdna_coaxstk.h +++ b/src/CG-DNA/pair_oxdna_coaxstk.h @@ -28,19 +28,19 @@ namespace LAMMPS_NS { class PairOxdnaCoaxstk : public Pair { public: PairOxdnaCoaxstk(class LAMMPS *); - virtual ~PairOxdnaCoaxstk(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_list(int, class NeighList *); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - void *extract(const char *, int &); + ~PairOxdnaCoaxstk() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_list(int, class NeighList *) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + void *extract(const char *, int &) override; protected: // coaxial stacking interaction diff --git a/src/CG-DNA/pair_oxdna_excv.h b/src/CG-DNA/pair_oxdna_excv.h index c3ad6cf37a..2e92985e0c 100644 --- a/src/CG-DNA/pair_oxdna_excv.h +++ b/src/CG-DNA/pair_oxdna_excv.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairOxdnaExcv : public Pair { public: PairOxdnaExcv(class LAMMPS *); - virtual ~PairOxdnaExcv(); + ~PairOxdnaExcv() override; virtual void compute_interaction_sites(double *, double *, double *, double *, double *); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_list(int, class NeighList *); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - void *extract(const char *, int &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_list(int, class NeighList *) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + void *extract(const char *, int &) override; protected: // s=sugar-phosphate backbone site, b=base site, st=stacking site diff --git a/src/CG-DNA/pair_oxdna_hbond.h b/src/CG-DNA/pair_oxdna_hbond.h index fdc8e9823b..7c6add7c4a 100644 --- a/src/CG-DNA/pair_oxdna_hbond.h +++ b/src/CG-DNA/pair_oxdna_hbond.h @@ -28,19 +28,19 @@ namespace LAMMPS_NS { class PairOxdnaHbond : public Pair { public: PairOxdnaHbond(class LAMMPS *); - virtual ~PairOxdnaHbond(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_list(int, class NeighList *); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - void *extract(const char *, int &); + ~PairOxdnaHbond() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_list(int, class NeighList *) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + void *extract(const char *, int &) override; protected: // h-bonding interaction diff --git a/src/CG-DNA/pair_oxdna_stk.h b/src/CG-DNA/pair_oxdna_stk.h index 8695f8fd36..1e97f8823c 100644 --- a/src/CG-DNA/pair_oxdna_stk.h +++ b/src/CG-DNA/pair_oxdna_stk.h @@ -28,20 +28,20 @@ namespace LAMMPS_NS { class PairOxdnaStk : public Pair { public: PairOxdnaStk(class LAMMPS *); - virtual ~PairOxdnaStk(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - void init_list(int, class NeighList *); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - void *extract(const char *, int &); + ~PairOxdnaStk() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + void init_list(int, class NeighList *) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + void *extract(const char *, int &) override; protected: // stacking interaction diff --git a/src/CG-DNA/pair_oxdna_xstk.h b/src/CG-DNA/pair_oxdna_xstk.h index 30089f53fb..28fc7fb2f6 100644 --- a/src/CG-DNA/pair_oxdna_xstk.h +++ b/src/CG-DNA/pair_oxdna_xstk.h @@ -28,19 +28,19 @@ namespace LAMMPS_NS { class PairOxdnaXstk : public Pair { public: PairOxdnaXstk(class LAMMPS *); - virtual ~PairOxdnaXstk(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_list(int, class NeighList *); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - void *extract(const char *, int &); + ~PairOxdnaXstk() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_list(int, class NeighList *) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + void *extract(const char *, int &) override; protected: // cross-stacking interaction diff --git a/src/CG-DNA/pair_oxrna2_dh.h b/src/CG-DNA/pair_oxrna2_dh.h index 3008b4cc8c..132805130e 100644 --- a/src/CG-DNA/pair_oxrna2_dh.h +++ b/src/CG-DNA/pair_oxrna2_dh.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class PairOxrna2Dh : public PairOxdna2Dh { public: PairOxrna2Dh(class LAMMPS *lmp) : PairOxdna2Dh(lmp) {} - virtual ~PairOxrna2Dh() {} - virtual void compute_interaction_sites(double *, double *, double *, double *); + + void compute_interaction_sites(double *, double *, double *, double *) override; }; } // namespace LAMMPS_NS diff --git a/src/CG-DNA/pair_oxrna2_excv.h b/src/CG-DNA/pair_oxrna2_excv.h index 4f404ef103..1f28f865a4 100644 --- a/src/CG-DNA/pair_oxrna2_excv.h +++ b/src/CG-DNA/pair_oxrna2_excv.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class PairOxrna2Excv : public PairOxdnaExcv { public: PairOxrna2Excv(class LAMMPS *lmp) : PairOxdnaExcv(lmp) {} - virtual ~PairOxrna2Excv() {} - virtual void compute_interaction_sites(double *, double *, double *, double *, double *); + + void compute_interaction_sites(double *, double *, double *, double *, double *) override; }; } // namespace LAMMPS_NS diff --git a/src/CG-DNA/pair_oxrna2_hbond.h b/src/CG-DNA/pair_oxrna2_hbond.h index fe213c5615..7fdd2e8c5b 100644 --- a/src/CG-DNA/pair_oxrna2_hbond.h +++ b/src/CG-DNA/pair_oxrna2_hbond.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class PairOxrna2Hbond : public PairOxdnaHbond { public: PairOxrna2Hbond(class LAMMPS *); - virtual ~PairOxrna2Hbond() {} }; } // namespace LAMMPS_NS diff --git a/src/CG-DNA/pair_oxrna2_stk.h b/src/CG-DNA/pair_oxrna2_stk.h index 23650c98b5..b8b2102a7a 100644 --- a/src/CG-DNA/pair_oxrna2_stk.h +++ b/src/CG-DNA/pair_oxrna2_stk.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairOxrna2Stk : public Pair { public: PairOxrna2Stk(class LAMMPS *); - virtual ~PairOxrna2Stk(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - void init_list(int, class NeighList *); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - void *extract(const char *, int &); + ~PairOxrna2Stk() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + void init_list(int, class NeighList *) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + void *extract(const char *, int &) override; protected: // stacking interaction diff --git a/src/CG-DNA/pair_oxrna2_xstk.h b/src/CG-DNA/pair_oxrna2_xstk.h index 187d0b67ae..6a3f02ee8d 100644 --- a/src/CG-DNA/pair_oxrna2_xstk.h +++ b/src/CG-DNA/pair_oxrna2_xstk.h @@ -27,19 +27,19 @@ namespace LAMMPS_NS { class PairOxrna2Xstk : public Pair { public: PairOxrna2Xstk(class LAMMPS *); - virtual ~PairOxrna2Xstk(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_list(int, class NeighList *); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - void *extract(const char *, int &); + ~PairOxrna2Xstk() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_list(int, class NeighList *) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + void *extract(const char *, int &) override; protected: // cross-stacking interaction diff --git a/src/CG-SDK/pair_lj_sdk.h b/src/CG-SDK/pair_lj_sdk.h index fd6a9f7595..28cef78d44 100644 --- a/src/CG-SDK/pair_lj_sdk.h +++ b/src/CG-SDK/pair_lj_sdk.h @@ -31,20 +31,20 @@ namespace LAMMPS_NS { class PairLJSDK : public Pair { public: PairLJSDK(LAMMPS *); - virtual ~PairLJSDK(); - virtual void compute(int, int); - virtual void settings(int, char **); - virtual void coeff(int, char **); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); - virtual double memory_usage(); + ~PairLJSDK() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; + double memory_usage() override; protected: int **lj_type; // type of lennard jones potential diff --git a/src/CG-SDK/pair_lj_sdk_coul_long.h b/src/CG-SDK/pair_lj_sdk_coul_long.h index ea5986284b..6a81a921b5 100644 --- a/src/CG-SDK/pair_lj_sdk_coul_long.h +++ b/src/CG-SDK/pair_lj_sdk_coul_long.h @@ -31,21 +31,21 @@ namespace LAMMPS_NS { class PairLJSDKCoulLong : public Pair { public: PairLJSDKCoulLong(class LAMMPS *); - virtual ~PairLJSDKCoulLong(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); - virtual double memory_usage(); + ~PairLJSDKCoulLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; + double memory_usage() override; protected: double **cut_lj, **cut_ljsq; diff --git a/src/CG-SDK/pair_lj_sdk_coul_msm.h b/src/CG-SDK/pair_lj_sdk_coul_msm.h index 0b4031aa81..3b8c7afe47 100644 --- a/src/CG-SDK/pair_lj_sdk_coul_msm.h +++ b/src/CG-SDK/pair_lj_sdk_coul_msm.h @@ -31,10 +31,9 @@ namespace LAMMPS_NS { class PairLJSDKCoulMSM : public PairLJSDKCoulLong { public: PairLJSDKCoulMSM(class LAMMPS *); - virtual ~PairLJSDKCoulMSM(){}; - virtual void compute(int, int); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + void compute(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; private: template void eval_msm(); diff --git a/src/CLASS2/pair_lj_class2.h b/src/CLASS2/pair_lj_class2.h index 8a2e4e506a..bc42d434bc 100644 --- a/src/CLASS2/pair_lj_class2.h +++ b/src/CLASS2/pair_lj_class2.h @@ -25,24 +25,24 @@ namespace LAMMPS_NS { class PairLJClass2 : public Pair { public: PairLJClass2(class LAMMPS *); - virtual ~PairLJClass2(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairLJClass2() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; - void compute_inner(); - void compute_middle(); - void compute_outer(int, int); + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; protected: double cut_global; diff --git a/src/CLASS2/pair_lj_class2_coul_cut.h b/src/CLASS2/pair_lj_class2_coul_cut.h index cfb718c65f..ae2d54f7b4 100644 --- a/src/CLASS2/pair_lj_class2_coul_cut.h +++ b/src/CLASS2/pair_lj_class2_coul_cut.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairLJClass2CoulCut : public Pair { public: PairLJClass2CoulCut(class LAMMPS *); - virtual ~PairLJClass2CoulCut(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairLJClass2CoulCut() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_lj_global, cut_coul_global; diff --git a/src/CLASS2/pair_lj_class2_coul_long.h b/src/CLASS2/pair_lj_class2_coul_long.h index f91d3ec54a..06c6547cbd 100644 --- a/src/CLASS2/pair_lj_class2_coul_long.h +++ b/src/CLASS2/pair_lj_class2_coul_long.h @@ -27,24 +27,24 @@ namespace LAMMPS_NS { class PairLJClass2CoulLong : public Pair { public: PairLJClass2CoulLong(class LAMMPS *); - virtual ~PairLJClass2CoulLong(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); + ~PairLJClass2CoulLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; - void compute_inner(); - void compute_middle(); - void compute_outer(int, int); - void *extract(const char *, int &); + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; + void *extract(const char *, int &) override; protected: double cut_lj_global; diff --git a/src/COLLOID/pair_brownian.h b/src/COLLOID/pair_brownian.h index 0e81f808b6..ded85d7df1 100644 --- a/src/COLLOID/pair_brownian.h +++ b/src/COLLOID/pair_brownian.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class PairBrownian : public Pair { public: PairBrownian(class LAMMPS *); - virtual ~PairBrownian(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual double init_one(int, int); - virtual void init_style(); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); + ~PairBrownian() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void init_style() override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; protected: double cut_inner_global, cut_global; diff --git a/src/COLLOID/pair_brownian_poly.h b/src/COLLOID/pair_brownian_poly.h index 6a9c628e40..110cb1ccd7 100644 --- a/src/COLLOID/pair_brownian_poly.h +++ b/src/COLLOID/pair_brownian_poly.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class PairBrownianPoly : public PairBrownian { public: PairBrownianPoly(class LAMMPS *); - ~PairBrownianPoly() {} - void compute(int, int); - double init_one(int, int); - void init_style(); + + void compute(int, int) override; + double init_one(int, int) override; + void init_style() override; }; } // namespace LAMMPS_NS diff --git a/src/COLLOID/pair_colloid.h b/src/COLLOID/pair_colloid.h index 6e570dd1f2..5e81051a11 100644 --- a/src/COLLOID/pair_colloid.h +++ b/src/COLLOID/pair_colloid.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairColloid : public Pair { public: PairColloid(class LAMMPS *); - virtual ~PairColloid(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); + ~PairColloid() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: enum { SMALL_SMALL, SMALL_LARGE, LARGE_LARGE }; diff --git a/src/COLLOID/pair_lubricate.h b/src/COLLOID/pair_lubricate.h index 4fbc3c77a7..cc617f79de 100644 --- a/src/COLLOID/pair_lubricate.h +++ b/src/COLLOID/pair_lubricate.h @@ -27,21 +27,21 @@ namespace LAMMPS_NS { class PairLubricate : public Pair { public: PairLubricate(class LAMMPS *); - virtual ~PairLubricate(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - virtual void init_style(); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); + ~PairLubricate() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void init_style() override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; int pre_adapt(char *, int, int, int, int); void adapt(int, int, int, int, int, double); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; protected: double mu, cut_inner_global, cut_global; diff --git a/src/COLLOID/pair_lubricateU.h b/src/COLLOID/pair_lubricateU.h index c857b1ccc1..a8544f261a 100644 --- a/src/COLLOID/pair_lubricateU.h +++ b/src/COLLOID/pair_lubricateU.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairLubricateU : public Pair { public: PairLubricateU(class LAMMPS *); - virtual ~PairLubricateU(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - virtual void init_style(); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + ~PairLubricateU() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void init_style() override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; protected: double cut_inner_global, cut_global; diff --git a/src/COLLOID/pair_lubricateU_poly.h b/src/COLLOID/pair_lubricateU_poly.h index af47e731c1..316edcefaf 100644 --- a/src/COLLOID/pair_lubricateU_poly.h +++ b/src/COLLOID/pair_lubricateU_poly.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class PairLubricateUPoly : public PairLubricateU { public: PairLubricateUPoly(class LAMMPS *); - ~PairLubricateUPoly() {} - void compute(int, int); - void settings(int, char **); - void init_style(); + + void compute(int, int) override; + void settings(int, char **) override; + void init_style() override; private: double vol_P; @@ -38,9 +38,9 @@ class PairLubricateUPoly : public PairLubricateU { class FixWall *wallfix; void iterate(double **, int); - void compute_RE(double **); - void compute_RU(double **); - void compute_Fh(double **); + void compute_RE(double **) override; + void compute_RU(double **) override; + void compute_Fh(double **) override; }; } // namespace LAMMPS_NS diff --git a/src/COLLOID/pair_lubricate_poly.h b/src/COLLOID/pair_lubricate_poly.h index 6fc79a2a3d..12a1dcde1e 100644 --- a/src/COLLOID/pair_lubricate_poly.h +++ b/src/COLLOID/pair_lubricate_poly.h @@ -27,9 +27,9 @@ namespace LAMMPS_NS { class PairLubricatePoly : public PairLubricate { public: PairLubricatePoly(class LAMMPS *); - ~PairLubricatePoly() {} - void compute(int, int); - void init_style(); + + void compute(int, int) override; + void init_style() override; }; } // namespace LAMMPS_NS diff --git a/src/COLLOID/pair_yukawa_colloid.h b/src/COLLOID/pair_yukawa_colloid.h index fa0dce0d63..ad77da7eea 100644 --- a/src/COLLOID/pair_yukawa_colloid.h +++ b/src/COLLOID/pair_yukawa_colloid.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairYukawaColloid : public PairYukawa { public: PairYukawaColloid(class LAMMPS *); - virtual ~PairYukawaColloid() {} - virtual void compute(int, int); - void init_style(); - double init_one(int, int); - double single(int, int, int, int, double, double, double, double &); + + void compute(int, int) override; + void init_style() override; + double init_one(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; }; } // namespace LAMMPS_NS diff --git a/src/CORESHELL/pair_born_coul_dsf_cs.h b/src/CORESHELL/pair_born_coul_dsf_cs.h index ac9cf2676b..48d48f3cf9 100644 --- a/src/CORESHELL/pair_born_coul_dsf_cs.h +++ b/src/CORESHELL/pair_born_coul_dsf_cs.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class PairBornCoulDSFCS : public PairBornCoulDSF { public: PairBornCoulDSFCS(class LAMMPS *); - virtual void compute(int, int); + void compute(int, int) override; }; } // namespace LAMMPS_NS diff --git a/src/CORESHELL/pair_born_coul_long_cs.h b/src/CORESHELL/pair_born_coul_long_cs.h index c015a56641..61c6e1a22e 100644 --- a/src/CORESHELL/pair_born_coul_long_cs.h +++ b/src/CORESHELL/pair_born_coul_long_cs.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class PairBornCoulLongCS : public PairBornCoulLong { public: PairBornCoulLongCS(class LAMMPS *); - virtual void compute(int, int); + void compute(int, int) override; }; } // namespace LAMMPS_NS diff --git a/src/CORESHELL/pair_born_coul_wolf_cs.h b/src/CORESHELL/pair_born_coul_wolf_cs.h index 70b1c5a261..433623a3d4 100644 --- a/src/CORESHELL/pair_born_coul_wolf_cs.h +++ b/src/CORESHELL/pair_born_coul_wolf_cs.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class PairBornCoulWolfCS : public PairBornCoulWolf { public: PairBornCoulWolfCS(class LAMMPS *); - virtual void compute(int, int); + void compute(int, int) override; }; } // namespace LAMMPS_NS diff --git a/src/CORESHELL/pair_buck_coul_long_cs.h b/src/CORESHELL/pair_buck_coul_long_cs.h index 12dfe12dc6..8a5ea985e6 100644 --- a/src/CORESHELL/pair_buck_coul_long_cs.h +++ b/src/CORESHELL/pair_buck_coul_long_cs.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class PairBuckCoulLongCS : public PairBuckCoulLong { public: PairBuckCoulLongCS(class LAMMPS *); - virtual void compute(int, int); + void compute(int, int) override; }; } // namespace LAMMPS_NS diff --git a/src/CORESHELL/pair_coul_long_cs.h b/src/CORESHELL/pair_coul_long_cs.h index 9b0780d247..d351556c68 100644 --- a/src/CORESHELL/pair_coul_long_cs.h +++ b/src/CORESHELL/pair_coul_long_cs.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class PairCoulLongCS : public PairCoulLong { public: PairCoulLongCS(class LAMMPS *); - virtual void compute(int, int); + void compute(int, int) override; }; } // namespace LAMMPS_NS diff --git a/src/CORESHELL/pair_coul_wolf_cs.h b/src/CORESHELL/pair_coul_wolf_cs.h index 811287548a..5ae626509a 100644 --- a/src/CORESHELL/pair_coul_wolf_cs.h +++ b/src/CORESHELL/pair_coul_wolf_cs.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class PairCoulWolfCS : public PairCoulWolf { public: PairCoulWolfCS(class LAMMPS *); - virtual void compute(int, int); + void compute(int, int) override; }; } // namespace LAMMPS_NS diff --git a/src/CORESHELL/pair_lj_class2_coul_long_cs.h b/src/CORESHELL/pair_lj_class2_coul_long_cs.h index c08cdb9700..b0f87f1ff3 100644 --- a/src/CORESHELL/pair_lj_class2_coul_long_cs.h +++ b/src/CORESHELL/pair_lj_class2_coul_long_cs.h @@ -28,10 +28,10 @@ class PairLJClass2CoulLongCS : public PairLJClass2CoulLong { public: PairLJClass2CoulLongCS(class LAMMPS *); - virtual void compute(int, int); - void compute_inner(); - void compute_middle(); - void compute_outer(int, int); + void compute(int, int) override; + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; }; } // namespace LAMMPS_NS diff --git a/src/CORESHELL/pair_lj_cut_coul_long_cs.h b/src/CORESHELL/pair_lj_cut_coul_long_cs.h index 47cf2316da..4bb1f923f5 100644 --- a/src/CORESHELL/pair_lj_cut_coul_long_cs.h +++ b/src/CORESHELL/pair_lj_cut_coul_long_cs.h @@ -28,10 +28,10 @@ class PairLJCutCoulLongCS : public PairLJCutCoulLong { public: PairLJCutCoulLongCS(class LAMMPS *); - virtual void compute(int, int); - void compute_inner(); - void compute_middle(); - virtual void compute_outer(int, int); + void compute(int, int) override; + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; }; } // namespace LAMMPS_NS diff --git a/src/DIELECTRIC/pair_coul_cut_dielectric.h b/src/DIELECTRIC/pair_coul_cut_dielectric.h index ef6fd3fb45..bc400302db 100644 --- a/src/DIELECTRIC/pair_coul_cut_dielectric.h +++ b/src/DIELECTRIC/pair_coul_cut_dielectric.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class PairCoulCutDielectric : public PairCoulCut { public: PairCoulCutDielectric(class LAMMPS *); - virtual ~PairCoulCutDielectric(); - virtual void compute(int, int); - virtual double single(int, int, int, int, double, double, double, double &); - void init_style(); + ~PairCoulCutDielectric() override; + void compute(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; + void init_style() override; double **efield; diff --git a/src/DIELECTRIC/pair_coul_long_dielectric.h b/src/DIELECTRIC/pair_coul_long_dielectric.h index 993555e452..2db2ad1086 100644 --- a/src/DIELECTRIC/pair_coul_long_dielectric.h +++ b/src/DIELECTRIC/pair_coul_long_dielectric.h @@ -27,9 +27,9 @@ namespace LAMMPS_NS { class PairCoulLongDielectric : public PairCoulLong { public: PairCoulLongDielectric(class LAMMPS *); - ~PairCoulLongDielectric(); - virtual void compute(int, int); - virtual void init_style(); + ~PairCoulLongDielectric() override; + void compute(int, int) override; + void init_style() override; double **efield; diff --git a/src/DIELECTRIC/pair_lj_cut_coul_cut_dielectric.h b/src/DIELECTRIC/pair_lj_cut_coul_cut_dielectric.h index 93bee549c8..77869b09b9 100644 --- a/src/DIELECTRIC/pair_lj_cut_coul_cut_dielectric.h +++ b/src/DIELECTRIC/pair_lj_cut_coul_cut_dielectric.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class PairLJCutCoulCutDielectric : public PairLJCutCoulCut { public: PairLJCutCoulCutDielectric(class LAMMPS *); - virtual ~PairLJCutCoulCutDielectric(); - virtual void compute(int, int); - virtual double single(int, int, int, int, double, double, double, double &); - void init_style(); + ~PairLJCutCoulCutDielectric() override; + void compute(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; + void init_style() override; double **efield; double *epot; diff --git a/src/DIELECTRIC/pair_lj_cut_coul_debye_dielectric.h b/src/DIELECTRIC/pair_lj_cut_coul_debye_dielectric.h index 0301ff4fbd..dbe626e669 100644 --- a/src/DIELECTRIC/pair_lj_cut_coul_debye_dielectric.h +++ b/src/DIELECTRIC/pair_lj_cut_coul_debye_dielectric.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class PairLJCutCoulDebyeDielectric : public PairLJCutCoulDebye { public: PairLJCutCoulDebyeDielectric(class LAMMPS *); - virtual ~PairLJCutCoulDebyeDielectric(); - virtual void compute(int, int); - virtual double single(int, int, int, int, double, double, double, double &); - void init_style(); + ~PairLJCutCoulDebyeDielectric() override; + void compute(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; + void init_style() override; double **efield; double *epot; diff --git a/src/DIELECTRIC/pair_lj_cut_coul_long_dielectric.h b/src/DIELECTRIC/pair_lj_cut_coul_long_dielectric.h index 06ad1c5e7f..a267da9915 100644 --- a/src/DIELECTRIC/pair_lj_cut_coul_long_dielectric.h +++ b/src/DIELECTRIC/pair_lj_cut_coul_long_dielectric.h @@ -28,10 +28,10 @@ class PairLJCutCoulLongDielectric : public PairLJCutCoulLong { public: PairLJCutCoulLongDielectric(class LAMMPS *); - virtual ~PairLJCutCoulLongDielectric(); - virtual void compute(int, int); - virtual void init_style(); - virtual double single(int, int, int, int, double, double, double, double &); + ~PairLJCutCoulLongDielectric() override; + void compute(int, int) override; + void init_style() override; + double single(int, int, int, int, double, double, double, double &) override; double **efield; double *epot; diff --git a/src/DIELECTRIC/pair_lj_cut_coul_msm_dielectric.h b/src/DIELECTRIC/pair_lj_cut_coul_msm_dielectric.h index 3e9e06bbc9..8c0677fbe8 100644 --- a/src/DIELECTRIC/pair_lj_cut_coul_msm_dielectric.h +++ b/src/DIELECTRIC/pair_lj_cut_coul_msm_dielectric.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJCutCoulMSMDielectric : public PairLJCutCoulLong { public: PairLJCutCoulMSMDielectric(class LAMMPS *); - virtual ~PairLJCutCoulMSMDielectric(); - virtual void init_style(); - virtual void compute(int, int); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + ~PairLJCutCoulMSMDielectric() override; + void init_style() override; + void compute(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; double **efield; diff --git a/src/DIELECTRIC/pair_lj_long_coul_long_dielectric.h b/src/DIELECTRIC/pair_lj_long_coul_long_dielectric.h index 83ba66a9a0..ca81a16a1b 100644 --- a/src/DIELECTRIC/pair_lj_long_coul_long_dielectric.h +++ b/src/DIELECTRIC/pair_lj_long_coul_long_dielectric.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class PairLJLongCoulLongDielectric : public PairLJLongCoulLong { public: PairLJLongCoulLongDielectric(class LAMMPS *); - virtual ~PairLJLongCoulLongDielectric(); - virtual void compute(int, int); - void init_style(); - double single(int, int, int, int, double, double, double, double &); + ~PairLJLongCoulLongDielectric() override; + void compute(int, int) override; + void init_style() override; + double single(int, int, int, int, double, double, double, double &) override; double **efield; double *epot; diff --git a/src/DIPOLE/pair_lj_cut_dipole_cut.h b/src/DIPOLE/pair_lj_cut_dipole_cut.h index 1999e1612e..d2d87e3ae5 100644 --- a/src/DIPOLE/pair_lj_cut_dipole_cut.h +++ b/src/DIPOLE/pair_lj_cut_dipole_cut.h @@ -27,17 +27,17 @@ namespace LAMMPS_NS { class PairLJCutDipoleCut : public Pair { public: PairLJCutDipoleCut(class LAMMPS *); - virtual ~PairLJCutDipoleCut(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void *extract(const char *, int &); + ~PairLJCutDipoleCut() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void *extract(const char *, int &) override; protected: double cut_lj_global, cut_coul_global; diff --git a/src/DIPOLE/pair_lj_cut_dipole_long.h b/src/DIPOLE/pair_lj_cut_dipole_long.h index bc9e3571da..d563f269a3 100644 --- a/src/DIPOLE/pair_lj_cut_dipole_long.h +++ b/src/DIPOLE/pair_lj_cut_dipole_long.h @@ -30,17 +30,17 @@ class PairLJCutDipoleLong : public Pair { double **sigma; PairLJCutDipoleLong(class LAMMPS *); - ~PairLJCutDipoleLong(); - void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void init_style(); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void *extract(const char *, int &); + ~PairLJCutDipoleLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void init_style() override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void *extract(const char *, int &) override; protected: double cut_lj_global; diff --git a/src/DIPOLE/pair_lj_long_dipole_long.h b/src/DIPOLE/pair_lj_long_dipole_long.h index 3669834cc7..b9f09ec9b1 100644 --- a/src/DIPOLE/pair_lj_long_dipole_long.h +++ b/src/DIPOLE/pair_lj_long_dipole_long.h @@ -29,18 +29,18 @@ class PairLJLongDipoleLong : public Pair { double cut_coul; PairLJLongDipoleLong(class LAMMPS *); - virtual ~PairLJLongDipoleLong(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); + ~PairLJLongDipoleLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void *extract(const char *, int &); + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void *extract(const char *, int &) override; protected: double cut_lj_global; diff --git a/src/DIPOLE/pair_lj_sf_dipole_sf.h b/src/DIPOLE/pair_lj_sf_dipole_sf.h index 93d416ec60..22b9320d8a 100644 --- a/src/DIPOLE/pair_lj_sf_dipole_sf.h +++ b/src/DIPOLE/pair_lj_sf_dipole_sf.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairLJSFDipoleSF : public Pair { public: PairLJSFDipoleSF(class LAMMPS *); - virtual ~PairLJSFDipoleSF(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairLJSFDipoleSF() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_lj_global, cut_coul_global; diff --git a/src/DPD-BASIC/pair_dpd.h b/src/DPD-BASIC/pair_dpd.h index 5bb2ab33ab..796228878c 100644 --- a/src/DPD-BASIC/pair_dpd.h +++ b/src/DPD-BASIC/pair_dpd.h @@ -27,19 +27,19 @@ namespace LAMMPS_NS { class PairDPD : public Pair { public: PairDPD(class LAMMPS *); - virtual ~PairDPD(); - virtual void compute(int, int); - virtual void settings(int, char **); - virtual void coeff(int, char **); - void init_style(); - double init_one(int, int); - virtual void write_restart(FILE *); - virtual void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - virtual void write_data(FILE *); - virtual void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); + ~PairDPD() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_global, temperature; diff --git a/src/DPD-BASIC/pair_dpd_ext.h b/src/DPD-BASIC/pair_dpd_ext.h index 01436470b0..66df395406 100644 --- a/src/DPD-BASIC/pair_dpd_ext.h +++ b/src/DPD-BASIC/pair_dpd_ext.h @@ -27,19 +27,19 @@ namespace LAMMPS_NS { class PairDPDExt : public Pair { public: PairDPDExt(class LAMMPS *); - virtual ~PairDPDExt(); - virtual void compute(int, int); - virtual void settings(int, char **); - virtual void coeff(int, char **); - void init_style(); - double init_one(int, int); - virtual void write_restart(FILE *); - virtual void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - virtual void write_data(FILE *); - virtual void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); + ~PairDPDExt() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_global, temperature; diff --git a/src/DPD-BASIC/pair_dpd_ext_tstat.h b/src/DPD-BASIC/pair_dpd_ext_tstat.h index 09f5c9a801..30974c7949 100644 --- a/src/DPD-BASIC/pair_dpd_ext_tstat.h +++ b/src/DPD-BASIC/pair_dpd_ext_tstat.h @@ -27,16 +27,15 @@ namespace LAMMPS_NS { class PairDPDExtTstat : public PairDPDExt { public: PairDPDExtTstat(class LAMMPS *); - ~PairDPDExtTstat() {} - void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; protected: double t_start, t_stop; diff --git a/src/DPD-BASIC/pair_dpd_tstat.h b/src/DPD-BASIC/pair_dpd_tstat.h index 4d2e238bb4..c7c41f2b24 100644 --- a/src/DPD-BASIC/pair_dpd_tstat.h +++ b/src/DPD-BASIC/pair_dpd_tstat.h @@ -27,16 +27,15 @@ namespace LAMMPS_NS { class PairDPDTstat : public PairDPD { public: PairDPDTstat(class LAMMPS *); - ~PairDPDTstat() {} - void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; protected: double t_start, t_stop; diff --git a/src/DPD-MESO/pair_edpd.h b/src/DPD-MESO/pair_edpd.h index a872401a3b..da8cc37d11 100644 --- a/src/DPD-MESO/pair_edpd.h +++ b/src/DPD-MESO/pair_edpd.h @@ -27,17 +27,17 @@ namespace LAMMPS_NS { class PairEDPD : public Pair { public: PairEDPD(class LAMMPS *); - virtual ~PairEDPD(); - virtual void compute(int, int); - virtual void settings(int, char **); - virtual void coeff(int, char **); - void init_style(); - double init_one(int, int); - virtual void write_restart(FILE *); - virtual void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - double single(int, int, int, int, double, double, double, double &); + ~PairEDPD() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_global; diff --git a/src/DPD-MESO/pair_mdpd.h b/src/DPD-MESO/pair_mdpd.h index 746a9ee5c0..56a6636d29 100644 --- a/src/DPD-MESO/pair_mdpd.h +++ b/src/DPD-MESO/pair_mdpd.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairMDPD : public Pair { public: PairMDPD(class LAMMPS *); - virtual ~PairMDPD(); - virtual void compute(int, int); - virtual void settings(int, char **); - virtual void coeff(int, char **); - void init_style(); - double init_one(int, int); - virtual void write_restart(FILE *); - virtual void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - virtual void write_data(FILE *); - virtual void write_data_all(FILE *); + ~PairMDPD() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; protected: double cut_global, temperature; diff --git a/src/DPD-MESO/pair_mdpd_rhosum.h b/src/DPD-MESO/pair_mdpd_rhosum.h index c31b6be0ca..e7bc7dec23 100644 --- a/src/DPD-MESO/pair_mdpd_rhosum.h +++ b/src/DPD-MESO/pair_mdpd_rhosum.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class PairMDPDRhoSum : public Pair { public: PairMDPDRhoSum(class LAMMPS *); - virtual ~PairMDPDRhoSum(); - void init_style(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual double init_one(int, int); - virtual double single(int, int, int, int, double, double, double, double &); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + ~PairMDPDRhoSum() override; + void init_style() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; protected: double **cut; diff --git a/src/DPD-MESO/pair_tdpd.h b/src/DPD-MESO/pair_tdpd.h index 71be53934e..0390acad2e 100644 --- a/src/DPD-MESO/pair_tdpd.h +++ b/src/DPD-MESO/pair_tdpd.h @@ -27,17 +27,17 @@ namespace LAMMPS_NS { class PairTDPD : public Pair { public: PairTDPD(class LAMMPS *); - virtual ~PairTDPD(); - virtual void compute(int, int); - virtual void settings(int, char **); - virtual void coeff(int, char **); - void init_style(); - double init_one(int, int); - virtual void write_restart(FILE *); - virtual void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - double single(int, int, int, int, double, double, double, double &); + ~PairTDPD() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_global, temperature; diff --git a/src/DPD-REACT/pair_dpd_fdt.h b/src/DPD-REACT/pair_dpd_fdt.h index d721b056db..29c8808768 100644 --- a/src/DPD-REACT/pair_dpd_fdt.h +++ b/src/DPD-REACT/pair_dpd_fdt.h @@ -27,17 +27,17 @@ namespace LAMMPS_NS { class PairDPDfdt : public Pair { public: PairDPDfdt(class LAMMPS *); - virtual ~PairDPDfdt(); - void compute(int, int); - virtual void settings(int, char **); - virtual void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - double single(int, int, int, int, double, double, double, double &); + ~PairDPDfdt() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; double **cut; double **a0; diff --git a/src/DPD-REACT/pair_dpd_fdt_energy.h b/src/DPD-REACT/pair_dpd_fdt_energy.h index 28fdc06de6..7868caa95e 100644 --- a/src/DPD-REACT/pair_dpd_fdt_energy.h +++ b/src/DPD-REACT/pair_dpd_fdt_energy.h @@ -27,19 +27,19 @@ namespace LAMMPS_NS { class PairDPDfdtEnergy : public Pair { public: PairDPDfdtEnergy(class LAMMPS *); - virtual ~PairDPDfdtEnergy(); - virtual void compute(int, int); - virtual void settings(int, char **); - virtual void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - double single(int, int, int, int, double, double, double, double &); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); + ~PairDPDfdtEnergy() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; double **cut; double **a0; diff --git a/src/DPD-REACT/pair_exp6_rx.h b/src/DPD-REACT/pair_exp6_rx.h index 719d8776b0..8c254cd5aa 100644 --- a/src/DPD-REACT/pair_exp6_rx.h +++ b/src/DPD-REACT/pair_exp6_rx.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class PairExp6rx : public Pair { public: PairExp6rx(class LAMMPS *); - virtual ~PairExp6rx(); - virtual void compute(int, int); - void settings(int, char **); - virtual void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); + ~PairExp6rx() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; struct Param { double epsilon, rm, alpha; @@ -62,7 +62,7 @@ class PairExp6rx : public Pair { int nspecies; virtual void read_file(char *); void read_file2(char *); - void setup(); + void setup() override; int isite1, isite2; char *site1, *site2; diff --git a/src/DPD-REACT/pair_multi_lucy.h b/src/DPD-REACT/pair_multi_lucy.h index 7de798e9d3..581310758d 100644 --- a/src/DPD-REACT/pair_multi_lucy.h +++ b/src/DPD-REACT/pair_multi_lucy.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairMultiLucy : public Pair { public: PairMultiLucy(class LAMMPS *); - virtual ~PairMultiLucy(); + ~PairMultiLucy() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; void computeLocalDensity(); double rho_0; diff --git a/src/DPD-REACT/pair_multi_lucy_rx.h b/src/DPD-REACT/pair_multi_lucy_rx.h index a0d4caadf5..bfaf09b083 100644 --- a/src/DPD-REACT/pair_multi_lucy_rx.h +++ b/src/DPD-REACT/pair_multi_lucy_rx.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairMultiLucyRX : public Pair { public: PairMultiLucyRX(class LAMMPS *); - virtual ~PairMultiLucyRX(); + ~PairMultiLucyRX() override; - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - virtual int pack_forward_comm(int, int *, double *, int, int *); - virtual void unpack_forward_comm(int, int, double *); - virtual int pack_reverse_comm(int, int, double *); - virtual void unpack_reverse_comm(int, int *, double *); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; void computeLocalDensity(); double rho_0; diff --git a/src/DPD-REACT/pair_table_rx.h b/src/DPD-REACT/pair_table_rx.h index 49bf7811a3..1071c8822b 100644 --- a/src/DPD-REACT/pair_table_rx.h +++ b/src/DPD-REACT/pair_table_rx.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairTableRX : public PairTable { public: PairTableRX(class LAMMPS *); - virtual ~PairTableRX(); + ~PairTableRX() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual double single(int, int, int, int, double, double, double, double &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double single(int, int, int, int, double, double, double, double &) override; protected: int nspecies; diff --git a/src/DPD-SMOOTH/pair_sdpd_taitwater_isothermal.h b/src/DPD-SMOOTH/pair_sdpd_taitwater_isothermal.h index bafd270e96..475ac1fb53 100644 --- a/src/DPD-SMOOTH/pair_sdpd_taitwater_isothermal.h +++ b/src/DPD-SMOOTH/pair_sdpd_taitwater_isothermal.h @@ -31,12 +31,12 @@ namespace LAMMPS_NS { class PairSDPDTaitwaterIsothermal : public Pair { public: PairSDPDTaitwaterIsothermal(class LAMMPS *); - virtual ~PairSDPDTaitwaterIsothermal(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual double init_one(int, int); - virtual void init_style(); + ~PairSDPDTaitwaterIsothermal() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void init_style() override; protected: double viscosity, temperature; diff --git a/src/DRUDE/pair_coul_tt.h b/src/DRUDE/pair_coul_tt.h index cb7139a720..bbd2163634 100644 --- a/src/DRUDE/pair_coul_tt.h +++ b/src/DRUDE/pair_coul_tt.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairCoulTT : public Pair { public: PairCoulTT(class LAMMPS *); - virtual ~PairCoulTT(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairCoulTT() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: int n_global; diff --git a/src/DRUDE/pair_lj_cut_thole_long.h b/src/DRUDE/pair_lj_cut_thole_long.h index eb26966d72..3497a78730 100644 --- a/src/DRUDE/pair_lj_cut_thole_long.h +++ b/src/DRUDE/pair_lj_cut_thole_long.h @@ -28,19 +28,19 @@ class PairLJCutTholeLong : public Pair { public: PairLJCutTholeLong(class LAMMPS *); - virtual ~PairLJCutTholeLong(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual void *extract(const char *, int &); + ~PairLJCutTholeLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + void *extract(const char *, int &) override; protected: double cut_lj_global; diff --git a/src/DRUDE/pair_thole.h b/src/DRUDE/pair_thole.h index 15dd1737be..164fb4c398 100644 --- a/src/DRUDE/pair_thole.h +++ b/src/DRUDE/pair_thole.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairThole : public Pair { public: PairThole(class LAMMPS *); - virtual ~PairThole(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairThole() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double thole_global; diff --git a/src/EFF/pair_eff_cut.h b/src/EFF/pair_eff_cut.h index 0e086e62d6..5fcb98063b 100644 --- a/src/EFF/pair_eff_cut.h +++ b/src/EFF/pair_eff_cut.h @@ -27,22 +27,22 @@ namespace LAMMPS_NS { class PairEffCut : public Pair { public: PairEffCut(class LAMMPS *); - virtual ~PairEffCut(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); + ~PairEffCut() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; void min_pointers(double **, double **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; - void min_xf_pointers(int, double **, double **); - void min_xf_get(int); - void min_x_set(int); - double memory_usage(); + void min_xf_pointers(int, double **, double **) override; + void min_xf_get(int) override; + void min_x_set(int) override; + double memory_usage() override; private: int limit_eradius_flag, pressure_with_evirials_flag; diff --git a/src/EXTRA-PAIR/pair_beck.h b/src/EXTRA-PAIR/pair_beck.h index dc19456d64..889004a579 100644 --- a/src/EXTRA-PAIR/pair_beck.h +++ b/src/EXTRA-PAIR/pair_beck.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class PairBeck : public Pair { public: PairBeck(class LAMMPS *); - virtual ~PairBeck(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - double single(int, int, int, int, double, double, double, double &); + ~PairBeck() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_global; diff --git a/src/EXTRA-PAIR/pair_born_coul_dsf.h b/src/EXTRA-PAIR/pair_born_coul_dsf.h index 01fa651630..bba1fce560 100644 --- a/src/EXTRA-PAIR/pair_born_coul_dsf.h +++ b/src/EXTRA-PAIR/pair_born_coul_dsf.h @@ -27,19 +27,19 @@ namespace LAMMPS_NS { class PairBornCoulDSF : public Pair { public: PairBornCoulDSF(class LAMMPS *); - virtual ~PairBornCoulDSF(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); + ~PairBornCoulDSF() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_lj_global, alpha; diff --git a/src/EXTRA-PAIR/pair_born_coul_wolf.h b/src/EXTRA-PAIR/pair_born_coul_wolf.h index 2ddfe3ebcf..42d85c9b5c 100644 --- a/src/EXTRA-PAIR/pair_born_coul_wolf.h +++ b/src/EXTRA-PAIR/pair_born_coul_wolf.h @@ -27,19 +27,19 @@ namespace LAMMPS_NS { class PairBornCoulWolf : public Pair { public: PairBornCoulWolf(class LAMMPS *); - virtual ~PairBornCoulWolf(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); + ~PairBornCoulWolf() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_lj_global, alf; diff --git a/src/EXTRA-PAIR/pair_buck_mdf.h b/src/EXTRA-PAIR/pair_buck_mdf.h index 0718fbaf71..4dda4f6c10 100644 --- a/src/EXTRA-PAIR/pair_buck_mdf.h +++ b/src/EXTRA-PAIR/pair_buck_mdf.h @@ -27,17 +27,17 @@ namespace LAMMPS_NS { class PairBuckMDF : public Pair { public: PairBuckMDF(class LAMMPS *); - virtual ~PairBuckMDF(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairBuckMDF() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_global, cut_inner_global; diff --git a/src/EXTRA-PAIR/pair_cosine_squared.h b/src/EXTRA-PAIR/pair_cosine_squared.h index e1c87525ed..2dc29daf10 100644 --- a/src/EXTRA-PAIR/pair_cosine_squared.h +++ b/src/EXTRA-PAIR/pair_cosine_squared.h @@ -30,20 +30,20 @@ namespace LAMMPS_NS { class PairCosineSquared : public Pair { public: PairCosineSquared(class LAMMPS *); - virtual ~PairCosineSquared(); - void settings(int, char **); - void coeff(int, char **); + ~PairCosineSquared() override; + void settings(int, char **) override; + void coeff(int, char **) override; // void init_style(); - double init_one(int, int); - void modify_params(int, char **); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual void compute(int, int); - double single(int, int, int, int, double, double, double, double &); + double init_one(int, int) override; + void modify_params(int, char **) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + void compute(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; // void *extract(const char *, int &); /* RESPA stuff not implemented... diff --git a/src/EXTRA-PAIR/pair_coul_cut_global.h b/src/EXTRA-PAIR/pair_coul_cut_global.h index c7520adc56..39e5e56d68 100644 --- a/src/EXTRA-PAIR/pair_coul_cut_global.h +++ b/src/EXTRA-PAIR/pair_coul_cut_global.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class PairCoulCutGlobal : public PairCoulCut { public: PairCoulCutGlobal(class LAMMPS *lmp) : PairCoulCut(lmp) {} - void coeff(int, char **); - void *extract(const char *, int &); + void coeff(int, char **) override; + void *extract(const char *, int &) override; }; } // namespace LAMMPS_NS diff --git a/src/EXTRA-PAIR/pair_coul_diel.h b/src/EXTRA-PAIR/pair_coul_diel.h index f15b300fb8..a7dbe6a6d7 100644 --- a/src/EXTRA-PAIR/pair_coul_diel.h +++ b/src/EXTRA-PAIR/pair_coul_diel.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairCoulDiel : public Pair { public: PairCoulDiel(class LAMMPS *); - virtual ~PairCoulDiel(); + ~PairCoulDiel() override; - virtual void compute(int, int); + void compute(int, int) override; - virtual void settings(int, char **); - virtual void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - virtual void write_restart(FILE *); - virtual void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; - virtual double single(int, int, int, int, double, double, double, double &); + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_global; diff --git a/src/EXTRA-PAIR/pair_coul_exclude.h b/src/EXTRA-PAIR/pair_coul_exclude.h index 38cd30cbb7..69ec59f5ba 100644 --- a/src/EXTRA-PAIR/pair_coul_exclude.h +++ b/src/EXTRA-PAIR/pair_coul_exclude.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairCoulExclude : public Pair { public: PairCoulExclude(class LAMMPS *); - virtual ~PairCoulExclude(); - virtual void compute(int, int); - virtual void settings(int, char **); - virtual void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - virtual void write_data(FILE *); - virtual void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + ~PairCoulExclude() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_global; diff --git a/src/EXTRA-PAIR/pair_coul_slater_cut.h b/src/EXTRA-PAIR/pair_coul_slater_cut.h index 4fc43f97e0..1d24f75c39 100644 --- a/src/EXTRA-PAIR/pair_coul_slater_cut.h +++ b/src/EXTRA-PAIR/pair_coul_slater_cut.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairCoulSlaterCut : public PairCoulCut { public: PairCoulSlaterCut(class LAMMPS *); - virtual void compute(int, int); - void settings(int, char **); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - double single(int, int, int, int, double, double, double, double &); + void compute(int, int) override; + void settings(int, char **) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double lamda; diff --git a/src/EXTRA-PAIR/pair_coul_slater_long.h b/src/EXTRA-PAIR/pair_coul_slater_long.h index eaa99a9729..66002ca2fa 100644 --- a/src/EXTRA-PAIR/pair_coul_slater_long.h +++ b/src/EXTRA-PAIR/pair_coul_slater_long.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairCoulSlaterLong : public Pair { public: PairCoulSlaterLong(class LAMMPS *); - ~PairCoulSlaterLong(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + ~PairCoulSlaterLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_coul, cut_coulsq, qdist; diff --git a/src/EXTRA-PAIR/pair_e3b.h b/src/EXTRA-PAIR/pair_e3b.h index f6cf916918..a7d5e6d8a5 100644 --- a/src/EXTRA-PAIR/pair_e3b.h +++ b/src/EXTRA-PAIR/pair_e3b.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairE3B : public Pair { public: PairE3B(class LAMMPS *); - virtual ~PairE3B(); - virtual void compute(int, int); - void settings(int, char **); - virtual void coeff(int, char **); - virtual double init_one(int, int); - virtual void init_style(); + ~PairE3B() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void init_style() override; protected: //potential parameters diff --git a/src/EXTRA-PAIR/pair_gauss.h b/src/EXTRA-PAIR/pair_gauss.h index d59ab074ef..70a412c0c1 100644 --- a/src/EXTRA-PAIR/pair_gauss.h +++ b/src/EXTRA-PAIR/pair_gauss.h @@ -27,19 +27,19 @@ namespace LAMMPS_NS { class PairGauss : public Pair { public: PairGauss(class LAMMPS *); - virtual ~PairGauss(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *fp); - void write_data_all(FILE *fp); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairGauss() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *fp) override; + void write_data_all(FILE *fp) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_global; diff --git a/src/EXTRA-PAIR/pair_gauss_cut.h b/src/EXTRA-PAIR/pair_gauss_cut.h index b0a05c179d..a485c2637f 100644 --- a/src/EXTRA-PAIR/pair_gauss_cut.h +++ b/src/EXTRA-PAIR/pair_gauss_cut.h @@ -27,25 +27,25 @@ namespace LAMMPS_NS { class PairGaussCut : public Pair { public: PairGaussCut(class LAMMPS *); - ~PairGaussCut(); + ~PairGaussCut() override; - virtual void compute(int, int); + void compute(int, int) override; - virtual double single(int, int, int, int, double, double, double, double &); + double single(int, int, int, int, double, double, double, double &) override; - virtual void settings(int, char **); - virtual void coeff(int, char **); + void settings(int, char **) override; + void coeff(int, char **) override; - virtual double init_one(int, int); + double init_one(int, int) override; - virtual void write_restart(FILE *); - virtual void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - virtual void write_data(FILE *fp); - virtual void write_data_all(FILE *fp); + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *fp) override; + void write_data_all(FILE *fp) override; - virtual double memory_usage(); + double memory_usage() override; protected: double cut_global; diff --git a/src/EXTRA-PAIR/pair_harmonic_cut.h b/src/EXTRA-PAIR/pair_harmonic_cut.h index 7dfdea995a..369791747f 100644 --- a/src/EXTRA-PAIR/pair_harmonic_cut.h +++ b/src/EXTRA-PAIR/pair_harmonic_cut.h @@ -27,19 +27,19 @@ namespace LAMMPS_NS { class PairHarmonicCut : public Pair { public: PairHarmonicCut(class LAMMPS *); - virtual ~PairHarmonicCut(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairHarmonicCut() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double **k, **cut; diff --git a/src/EXTRA-PAIR/pair_lennard_mdf.h b/src/EXTRA-PAIR/pair_lennard_mdf.h index 96e7ccb5f7..e830b4f397 100644 --- a/src/EXTRA-PAIR/pair_lennard_mdf.h +++ b/src/EXTRA-PAIR/pair_lennard_mdf.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairLennardMDF : public Pair { public: PairLennardMDF(class LAMMPS *); - virtual ~PairLennardMDF(); + ~PairLennardMDF() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_global, cut_inner_global; diff --git a/src/EXTRA-PAIR/pair_lj96_cut.h b/src/EXTRA-PAIR/pair_lj96_cut.h index 8bd9829b12..d5084b9719 100644 --- a/src/EXTRA-PAIR/pair_lj96_cut.h +++ b/src/EXTRA-PAIR/pair_lj96_cut.h @@ -27,24 +27,24 @@ namespace LAMMPS_NS { class PairLJ96Cut : public Pair { public: PairLJ96Cut(class LAMMPS *); - virtual ~PairLJ96Cut(); + ~PairLJ96Cut() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; - void compute_inner(); - void compute_middle(); - void compute_outer(int, int); + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; protected: double cut_global; diff --git a/src/EXTRA-PAIR/pair_lj_cubic.h b/src/EXTRA-PAIR/pair_lj_cubic.h index b6db913460..d879020a05 100644 --- a/src/EXTRA-PAIR/pair_lj_cubic.h +++ b/src/EXTRA-PAIR/pair_lj_cubic.h @@ -27,17 +27,17 @@ namespace LAMMPS_NS { class PairLJCubic : public Pair { public: PairLJCubic(class LAMMPS *); - virtual ~PairLJCubic(); + ~PairLJCubic() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - double single(int, int, int, int, double, double, double, double &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double **cut, **cut_inner, **cut_inner_sq; diff --git a/src/EXTRA-PAIR/pair_lj_cut_coul_debye.h b/src/EXTRA-PAIR/pair_lj_cut_coul_debye.h index 8d9629db86..208c626cfd 100644 --- a/src/EXTRA-PAIR/pair_lj_cut_coul_debye.h +++ b/src/EXTRA-PAIR/pair_lj_cut_coul_debye.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairLJCutCoulDebye : public PairLJCutCoulCut { public: PairLJCutCoulDebye(class LAMMPS *); - virtual ~PairLJCutCoulDebye() {} - virtual void compute(int, int); - void settings(int, char **); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - double single(int, int, int, int, double, double, double, double &); + + void compute(int, int) override; + void settings(int, char **) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double kappa; diff --git a/src/EXTRA-PAIR/pair_lj_cut_coul_dsf.h b/src/EXTRA-PAIR/pair_lj_cut_coul_dsf.h index 200038ae9f..2445c219db 100644 --- a/src/EXTRA-PAIR/pair_lj_cut_coul_dsf.h +++ b/src/EXTRA-PAIR/pair_lj_cut_coul_dsf.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairLJCutCoulDSF : public Pair { public: PairLJCutCoulDSF(class LAMMPS *); - ~PairLJCutCoulDSF(); - void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairLJCutCoulDSF() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_lj_global; diff --git a/src/EXTRA-PAIR/pair_lj_cut_coul_wolf.h b/src/EXTRA-PAIR/pair_lj_cut_coul_wolf.h index 779cc706e6..6ca4bb0166 100644 --- a/src/EXTRA-PAIR/pair_lj_cut_coul_wolf.h +++ b/src/EXTRA-PAIR/pair_lj_cut_coul_wolf.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairLJCutCoulWolf : public Pair { public: PairLJCutCoulWolf(class LAMMPS *); - virtual ~PairLJCutCoulWolf(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); + ~PairLJCutCoulWolf() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; protected: double cut_lj_global; diff --git a/src/EXTRA-PAIR/pair_lj_expand_coul_long.h b/src/EXTRA-PAIR/pair_lj_expand_coul_long.h index 6d5dddb69e..e0f179ca10 100644 --- a/src/EXTRA-PAIR/pair_lj_expand_coul_long.h +++ b/src/EXTRA-PAIR/pair_lj_expand_coul_long.h @@ -28,24 +28,24 @@ class PairLJExpandCoulLong : public Pair { public: PairLJExpandCoulLong(class LAMMPS *); - virtual ~PairLJExpandCoulLong(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); + ~PairLJExpandCoulLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; - void compute_inner(); - void compute_middle(); - virtual void compute_outer(int, int); - virtual void *extract(const char *, int &); + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; + void *extract(const char *, int &) override; protected: double cut_lj_global; diff --git a/src/EXTRA-PAIR/pair_lj_gromacs.h b/src/EXTRA-PAIR/pair_lj_gromacs.h index 5941be6ba5..b0a6cdfd9e 100644 --- a/src/EXTRA-PAIR/pair_lj_gromacs.h +++ b/src/EXTRA-PAIR/pair_lj_gromacs.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairLJGromacs : public Pair { public: PairLJGromacs(class LAMMPS *); - virtual ~PairLJGromacs(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); + ~PairLJGromacs() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_inner_global, cut_global; diff --git a/src/EXTRA-PAIR/pair_lj_gromacs_coul_gromacs.h b/src/EXTRA-PAIR/pair_lj_gromacs_coul_gromacs.h index d7075262cc..71c8f0211c 100644 --- a/src/EXTRA-PAIR/pair_lj_gromacs_coul_gromacs.h +++ b/src/EXTRA-PAIR/pair_lj_gromacs_coul_gromacs.h @@ -27,19 +27,19 @@ namespace LAMMPS_NS { class PairLJGromacsCoulGromacs : public Pair { public: PairLJGromacsCoulGromacs(class LAMMPS *); - virtual ~PairLJGromacsCoulGromacs(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); + ~PairLJGromacsCoulGromacs() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_lj_inner, cut_lj, cut_coul_inner, cut_coul; diff --git a/src/EXTRA-PAIR/pair_lj_mdf.h b/src/EXTRA-PAIR/pair_lj_mdf.h index 777e935624..423e8d2f9e 100644 --- a/src/EXTRA-PAIR/pair_lj_mdf.h +++ b/src/EXTRA-PAIR/pair_lj_mdf.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairLJMDF : public Pair { public: PairLJMDF(class LAMMPS *); - virtual ~PairLJMDF(); + ~PairLJMDF() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_global, cut_inner_global; diff --git a/src/EXTRA-PAIR/pair_lj_relres.h b/src/EXTRA-PAIR/pair_lj_relres.h index 7493440abd..ed5ffa80d0 100644 --- a/src/EXTRA-PAIR/pair_lj_relres.h +++ b/src/EXTRA-PAIR/pair_lj_relres.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairLJRelRes : public Pair { public: PairLJRelRes(class LAMMPS *); - virtual ~PairLJRelRes(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); + ~PairLJRelRes() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_inner_global, cut_global, cutf_inner_global, cutf_global; diff --git a/src/EXTRA-PAIR/pair_lj_smooth.h b/src/EXTRA-PAIR/pair_lj_smooth.h index bb37a098f6..fd66ff0a24 100644 --- a/src/EXTRA-PAIR/pair_lj_smooth.h +++ b/src/EXTRA-PAIR/pair_lj_smooth.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairLJSmooth : public Pair { public: PairLJSmooth(class LAMMPS *); - virtual ~PairLJSmooth(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); + ~PairLJSmooth() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_inner_global, cut_global; diff --git a/src/EXTRA-PAIR/pair_lj_smooth_linear.h b/src/EXTRA-PAIR/pair_lj_smooth_linear.h index 6db6ef5c21..0b7d10ea48 100644 --- a/src/EXTRA-PAIR/pair_lj_smooth_linear.h +++ b/src/EXTRA-PAIR/pair_lj_smooth_linear.h @@ -28,17 +28,17 @@ namespace LAMMPS_NS { class PairLJSmoothLinear : public Pair { public: PairLJSmoothLinear(class LAMMPS *); - virtual ~PairLJSmoothLinear(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - double single(int, int, int, int, double, double, double, double &); - double single_hessian(int, int, int, int, double, double[3], double, double, double &, double[6]); + ~PairLJSmoothLinear() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + double single_hessian(int, int, int, int, double, double[3], double, double, double &, double[6]) override; protected: double cut_global; diff --git a/src/EXTRA-PAIR/pair_mie_cut.h b/src/EXTRA-PAIR/pair_mie_cut.h index 5e4238fddd..f7fe1ff0d2 100644 --- a/src/EXTRA-PAIR/pair_mie_cut.h +++ b/src/EXTRA-PAIR/pair_mie_cut.h @@ -27,22 +27,22 @@ namespace LAMMPS_NS { class PairMIECut : public Pair { public: PairMIECut(class LAMMPS *); - virtual ~PairMIECut(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairMIECut() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; - void compute_inner(); - void compute_middle(); - void compute_outer(int, int); + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; protected: double cut_global; diff --git a/src/EXTRA-PAIR/pair_momb.h b/src/EXTRA-PAIR/pair_momb.h index 1116320ef0..3944390604 100644 --- a/src/EXTRA-PAIR/pair_momb.h +++ b/src/EXTRA-PAIR/pair_momb.h @@ -29,17 +29,17 @@ namespace LAMMPS_NS { class PairMomb : public Pair { public: PairMomb(class LAMMPS *); - virtual ~PairMomb(); + ~PairMomb() override; - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_global; diff --git a/src/EXTRA-PAIR/pair_morse_smooth_linear.h b/src/EXTRA-PAIR/pair_morse_smooth_linear.h index 18f2767b5f..01d7c848ab 100644 --- a/src/EXTRA-PAIR/pair_morse_smooth_linear.h +++ b/src/EXTRA-PAIR/pair_morse_smooth_linear.h @@ -29,20 +29,20 @@ namespace LAMMPS_NS { class PairMorseSmoothLinear : public Pair { public: PairMorseSmoothLinear(class LAMMPS *); - virtual ~PairMorseSmoothLinear(); + ~PairMorseSmoothLinear() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_global; diff --git a/src/EXTRA-PAIR/pair_nm_cut.h b/src/EXTRA-PAIR/pair_nm_cut.h index bf40740abf..da3b6b837b 100644 --- a/src/EXTRA-PAIR/pair_nm_cut.h +++ b/src/EXTRA-PAIR/pair_nm_cut.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairNMCut : public Pair { public: PairNMCut(class LAMMPS *); - virtual ~PairNMCut(); + ~PairNMCut() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_global; diff --git a/src/EXTRA-PAIR/pair_nm_cut_coul_cut.h b/src/EXTRA-PAIR/pair_nm_cut_coul_cut.h index a411c332de..ba054ef849 100644 --- a/src/EXTRA-PAIR/pair_nm_cut_coul_cut.h +++ b/src/EXTRA-PAIR/pair_nm_cut_coul_cut.h @@ -27,21 +27,21 @@ namespace LAMMPS_NS { class PairNMCutCoulCut : public Pair { public: PairNMCutCoulCut(class LAMMPS *); - virtual ~PairNMCutCoulCut(); + ~PairNMCutCoulCut() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_lj_global, cut_coul_global; diff --git a/src/EXTRA-PAIR/pair_nm_cut_coul_long.h b/src/EXTRA-PAIR/pair_nm_cut_coul_long.h index 1e4989717c..e2d19d14a5 100644 --- a/src/EXTRA-PAIR/pair_nm_cut_coul_long.h +++ b/src/EXTRA-PAIR/pair_nm_cut_coul_long.h @@ -27,22 +27,22 @@ namespace LAMMPS_NS { class PairNMCutCoulLong : public Pair { public: PairNMCutCoulLong(class LAMMPS *); - virtual ~PairNMCutCoulLong(); + ~PairNMCutCoulLong() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; - void *extract(const char *, int &); + void *extract(const char *, int &) override; protected: double cut_lj_global; diff --git a/src/EXTRA-PAIR/pair_nm_cut_split.h b/src/EXTRA-PAIR/pair_nm_cut_split.h index a05634ada2..68d4dad7de 100644 --- a/src/EXTRA-PAIR/pair_nm_cut_split.h +++ b/src/EXTRA-PAIR/pair_nm_cut_split.h @@ -26,8 +26,8 @@ namespace LAMMPS_NS { class PairNMCutSplit : public PairNMCut { public: PairNMCutSplit(class LAMMPS *); - double single(int, int, int, int, double, double, double, double &); - virtual void compute(int, int); + double single(int, int, int, int, double, double, double, double &) override; + void compute(int, int) override; }; } // namespace LAMMPS_NS #endif diff --git a/src/EXTRA-PAIR/pair_ufm.h b/src/EXTRA-PAIR/pair_ufm.h index 714f886eb0..d8091766a0 100644 --- a/src/EXTRA-PAIR/pair_ufm.h +++ b/src/EXTRA-PAIR/pair_ufm.h @@ -33,19 +33,19 @@ namespace LAMMPS_NS { class PairUFM : public Pair { public: PairUFM(class LAMMPS *); - virtual ~PairUFM(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairUFM() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_global; diff --git a/src/EXTRA-PAIR/pair_wf_cut.h b/src/EXTRA-PAIR/pair_wf_cut.h index 132703ce29..61d930b12e 100644 --- a/src/EXTRA-PAIR/pair_wf_cut.h +++ b/src/EXTRA-PAIR/pair_wf_cut.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairWFCut : public Pair { public: PairWFCut(class LAMMPS *); - virtual ~PairWFCut(); + ~PairWFCut() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: int **nu, **mu; diff --git a/src/FEP/pair_coul_cut_soft.h b/src/FEP/pair_coul_cut_soft.h index 92f1fc6efc..862bafce8c 100644 --- a/src/FEP/pair_coul_cut_soft.h +++ b/src/FEP/pair_coul_cut_soft.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairCoulCutSoft : public Pair { public: PairCoulCutSoft(class LAMMPS *); - virtual ~PairCoulCutSoft(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairCoulCutSoft() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_global; diff --git a/src/FEP/pair_coul_long_soft.h b/src/FEP/pair_coul_long_soft.h index f5e2e52642..45afeef445 100644 --- a/src/FEP/pair_coul_long_soft.h +++ b/src/FEP/pair_coul_long_soft.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairCoulLongSoft : public Pair { public: PairCoulLongSoft(class LAMMPS *); - virtual ~PairCoulLongSoft(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + ~PairCoulLongSoft() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_coul, cut_coulsq; diff --git a/src/FEP/pair_lj_charmm_coul_long_soft.h b/src/FEP/pair_lj_charmm_coul_long_soft.h index 45cdcaf0d2..8190a5109b 100644 --- a/src/FEP/pair_lj_charmm_coul_long_soft.h +++ b/src/FEP/pair_lj_charmm_coul_long_soft.h @@ -27,25 +27,25 @@ namespace LAMMPS_NS { class PairLJCharmmCoulLongSoft : public Pair { public: PairLJCharmmCoulLongSoft(class LAMMPS *); - virtual ~PairLJCharmmCoulLongSoft(); + ~PairLJCharmmCoulLongSoft() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; - void compute_inner(); - void compute_middle(); - virtual void compute_outer(int, int); - virtual void *extract(const char *, int &); + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; + void *extract(const char *, int &) override; protected: int implicit; diff --git a/src/FEP/pair_lj_class2_coul_cut_soft.h b/src/FEP/pair_lj_class2_coul_cut_soft.h index 8533862b0a..3b50b21151 100644 --- a/src/FEP/pair_lj_class2_coul_cut_soft.h +++ b/src/FEP/pair_lj_class2_coul_cut_soft.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairLJClass2CoulCutSoft : public Pair { public: PairLJClass2CoulCutSoft(class LAMMPS *); - virtual ~PairLJClass2CoulCutSoft(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairLJClass2CoulCutSoft() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_lj_global, cut_coul_global; diff --git a/src/FEP/pair_lj_class2_coul_long_soft.h b/src/FEP/pair_lj_class2_coul_long_soft.h index 0b7212686b..2d374a91f6 100644 --- a/src/FEP/pair_lj_class2_coul_long_soft.h +++ b/src/FEP/pair_lj_class2_coul_long_soft.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairLJClass2CoulLongSoft : public Pair { public: PairLJClass2CoulLongSoft(class LAMMPS *); - virtual ~PairLJClass2CoulLongSoft(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairLJClass2CoulLongSoft() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_lj_global; diff --git a/src/FEP/pair_lj_class2_soft.h b/src/FEP/pair_lj_class2_soft.h index 32930b9b86..2a7a3a286f 100644 --- a/src/FEP/pair_lj_class2_soft.h +++ b/src/FEP/pair_lj_class2_soft.h @@ -25,19 +25,19 @@ namespace LAMMPS_NS { class PairLJClass2Soft : public Pair { public: PairLJClass2Soft(class LAMMPS *); - virtual ~PairLJClass2Soft(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairLJClass2Soft() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_global; diff --git a/src/FEP/pair_lj_cut_coul_cut_soft.h b/src/FEP/pair_lj_cut_coul_cut_soft.h index 3d03da1b7d..b92e29ac44 100644 --- a/src/FEP/pair_lj_cut_coul_cut_soft.h +++ b/src/FEP/pair_lj_cut_coul_cut_soft.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairLJCutCoulCutSoft : public Pair { public: PairLJCutCoulCutSoft(class LAMMPS *); - virtual ~PairLJCutCoulCutSoft(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairLJCutCoulCutSoft() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_lj_global, cut_coul_global; diff --git a/src/FEP/pair_lj_cut_coul_long_soft.h b/src/FEP/pair_lj_cut_coul_long_soft.h index b82c673dc5..04add045c8 100644 --- a/src/FEP/pair_lj_cut_coul_long_soft.h +++ b/src/FEP/pair_lj_cut_coul_long_soft.h @@ -27,24 +27,24 @@ namespace LAMMPS_NS { class PairLJCutCoulLongSoft : public Pair { public: PairLJCutCoulLongSoft(class LAMMPS *); - virtual ~PairLJCutCoulLongSoft(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + ~PairLJCutCoulLongSoft() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; - void compute_inner(); - void compute_middle(); - virtual void compute_outer(int, int); + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; protected: double cut_lj_global; diff --git a/src/FEP/pair_lj_cut_soft.h b/src/FEP/pair_lj_cut_soft.h index 00f579823c..9c86485ab2 100644 --- a/src/FEP/pair_lj_cut_soft.h +++ b/src/FEP/pair_lj_cut_soft.h @@ -27,24 +27,24 @@ namespace LAMMPS_NS { class PairLJCutSoft : public Pair { public: PairLJCutSoft(class LAMMPS *); - virtual ~PairLJCutSoft(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairLJCutSoft() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; - void compute_inner(); - void compute_middle(); - void compute_outer(int, int); + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; protected: double cut_global; diff --git a/src/FEP/pair_lj_cut_tip4p_long_soft.h b/src/FEP/pair_lj_cut_tip4p_long_soft.h index cf6ac22126..9a6615c95c 100644 --- a/src/FEP/pair_lj_cut_tip4p_long_soft.h +++ b/src/FEP/pair_lj_cut_tip4p_long_soft.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class PairLJCutTIP4PLongSoft : public PairLJCutCoulLongSoft { public: PairLJCutTIP4PLongSoft(class LAMMPS *); - virtual ~PairLJCutTIP4PLongSoft(); - virtual void compute(int, int); - void settings(int, char **); - void init_style(); - double init_one(int, int); - void write_restart_settings(FILE *fp); - void read_restart_settings(FILE *fp); - void *extract(const char *, int &); - virtual double memory_usage(); + ~PairLJCutTIP4PLongSoft() override; + void compute(int, int) override; + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart_settings(FILE *fp) override; + void read_restart_settings(FILE *fp) override; + void *extract(const char *, int &) override; + double memory_usage() override; protected: int typeH, typeO; // atom types of TIP4P water H and O atoms diff --git a/src/FEP/pair_morse_soft.h b/src/FEP/pair_morse_soft.h index f6ec254a44..b471938231 100644 --- a/src/FEP/pair_morse_soft.h +++ b/src/FEP/pair_morse_soft.h @@ -31,21 +31,21 @@ class PairMorseSoft : public PairMorse { public: PairMorseSoft(class LAMMPS *lmp) : PairMorse(lmp), lambda(nullptr), nlambda(0), shift_range(1.0){}; - virtual ~PairMorseSoft(); - virtual void compute(int, int); + ~PairMorseSoft() override; + void compute(int, int) override; - virtual void settings(int, char **); - virtual void coeff(int, char **); - virtual double init_one(int, int); - virtual void write_restart(FILE *); - virtual void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; - virtual void write_data(FILE *); - virtual void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double **lambda; @@ -53,7 +53,7 @@ class PairMorseSoft : public PairMorse { int nlambda; double shift_range; - virtual void allocate(); + void allocate() override; }; } // namespace LAMMPS_NS diff --git a/src/FEP/pair_tip4p_long_soft.h b/src/FEP/pair_tip4p_long_soft.h index 9df7847993..bed6f7f39c 100644 --- a/src/FEP/pair_tip4p_long_soft.h +++ b/src/FEP/pair_tip4p_long_soft.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class PairTIP4PLongSoft : public PairCoulLongSoft { public: PairTIP4PLongSoft(class LAMMPS *); - virtual ~PairTIP4PLongSoft(); - virtual void compute(int, int); - void settings(int, char **); - void init_style(); - double init_one(int, int); - void write_restart_settings(FILE *fp); - void read_restart_settings(FILE *fp); - void *extract(const char *, int &); - virtual double memory_usage(); + ~PairTIP4PLongSoft() override; + void compute(int, int) override; + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart_settings(FILE *fp) override; + void read_restart_settings(FILE *fp) override; + void *extract(const char *, int &) override; + double memory_usage() override; protected: int typeH, typeO; // atom types of TIP4P water H and O atoms diff --git a/src/GPU/pair_beck_gpu.h b/src/GPU/pair_beck_gpu.h index 835bc7e54f..011f3b4177 100644 --- a/src/GPU/pair_beck_gpu.h +++ b/src/GPU/pair_beck_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairBeckGPU : public PairBeck { public: PairBeckGPU(LAMMPS *lmp); - ~PairBeckGPU(); + ~PairBeckGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_born_coul_long_cs_gpu.h b/src/GPU/pair_born_coul_long_cs_gpu.h index 228eae6c9b..34a7f41fc4 100644 --- a/src/GPU/pair_born_coul_long_cs_gpu.h +++ b/src/GPU/pair_born_coul_long_cs_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairBornCoulLongCSGPU : public PairBornCoulLongCS { public: PairBornCoulLongCSGPU(LAMMPS *lmp); - ~PairBornCoulLongCSGPU(); + ~PairBornCoulLongCSGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_born_coul_long_gpu.h b/src/GPU/pair_born_coul_long_gpu.h index 89c44005c2..bbb0f24807 100644 --- a/src/GPU/pair_born_coul_long_gpu.h +++ b/src/GPU/pair_born_coul_long_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairBornCoulLongGPU : public PairBornCoulLong { public: PairBornCoulLongGPU(LAMMPS *lmp); - ~PairBornCoulLongGPU(); + ~PairBornCoulLongGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_born_coul_wolf_cs_gpu.h b/src/GPU/pair_born_coul_wolf_cs_gpu.h index 13a98ba3c0..21391c6588 100644 --- a/src/GPU/pair_born_coul_wolf_cs_gpu.h +++ b/src/GPU/pair_born_coul_wolf_cs_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairBornCoulWolfCSGPU : public PairBornCoulWolfCS { public: PairBornCoulWolfCSGPU(LAMMPS *lmp); - ~PairBornCoulWolfCSGPU(); + ~PairBornCoulWolfCSGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_born_coul_wolf_gpu.h b/src/GPU/pair_born_coul_wolf_gpu.h index c4c002e841..30d5fff383 100644 --- a/src/GPU/pair_born_coul_wolf_gpu.h +++ b/src/GPU/pair_born_coul_wolf_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairBornCoulWolfGPU : public PairBornCoulWolf { public: PairBornCoulWolfGPU(LAMMPS *lmp); - ~PairBornCoulWolfGPU(); + ~PairBornCoulWolfGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_born_gpu.h b/src/GPU/pair_born_gpu.h index b958da28f0..bab342b259 100644 --- a/src/GPU/pair_born_gpu.h +++ b/src/GPU/pair_born_gpu.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairBornGPU : public PairBorn { public: PairBornGPU(LAMMPS *lmp); - ~PairBornGPU(); + ~PairBornGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - void reinit(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + void reinit() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_buck_coul_cut_gpu.h b/src/GPU/pair_buck_coul_cut_gpu.h index 69965a1a53..56d69f00ba 100644 --- a/src/GPU/pair_buck_coul_cut_gpu.h +++ b/src/GPU/pair_buck_coul_cut_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairBuckCoulCutGPU : public PairBuckCoulCut { public: PairBuckCoulCutGPU(LAMMPS *lmp); - ~PairBuckCoulCutGPU(); + ~PairBuckCoulCutGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_buck_coul_long_gpu.h b/src/GPU/pair_buck_coul_long_gpu.h index 231462d4c4..3e3cb33112 100644 --- a/src/GPU/pair_buck_coul_long_gpu.h +++ b/src/GPU/pair_buck_coul_long_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairBuckCoulLongGPU : public PairBuckCoulLong { public: PairBuckCoulLongGPU(LAMMPS *lmp); - ~PairBuckCoulLongGPU(); + ~PairBuckCoulLongGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_buck_gpu.h b/src/GPU/pair_buck_gpu.h index c3b91cbbc1..99fe981d38 100644 --- a/src/GPU/pair_buck_gpu.h +++ b/src/GPU/pair_buck_gpu.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairBuckGPU : public PairBuck { public: PairBuckGPU(LAMMPS *lmp); - ~PairBuckGPU(); + ~PairBuckGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - void reinit(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + void reinit() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_colloid_gpu.h b/src/GPU/pair_colloid_gpu.h index 6e49b8e2ed..5f1f068429 100644 --- a/src/GPU/pair_colloid_gpu.h +++ b/src/GPU/pair_colloid_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairColloidGPU : public PairColloid { public: PairColloidGPU(LAMMPS *lmp); - ~PairColloidGPU(); + ~PairColloidGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_coul_cut_gpu.h b/src/GPU/pair_coul_cut_gpu.h index 9c6d8eb6d6..620f7185eb 100644 --- a/src/GPU/pair_coul_cut_gpu.h +++ b/src/GPU/pair_coul_cut_gpu.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairCoulCutGPU : public PairCoulCut { public: PairCoulCutGPU(LAMMPS *lmp); - ~PairCoulCutGPU(); + ~PairCoulCutGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - void reinit(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + void reinit() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_coul_debye_gpu.h b/src/GPU/pair_coul_debye_gpu.h index 6e0efe8808..5efefd9a43 100644 --- a/src/GPU/pair_coul_debye_gpu.h +++ b/src/GPU/pair_coul_debye_gpu.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairCoulDebyeGPU : public PairCoulDebye { public: PairCoulDebyeGPU(LAMMPS *lmp); - ~PairCoulDebyeGPU(); + ~PairCoulDebyeGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - void reinit(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + void reinit() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_coul_dsf_gpu.h b/src/GPU/pair_coul_dsf_gpu.h index b1da9f0742..c6b8803400 100644 --- a/src/GPU/pair_coul_dsf_gpu.h +++ b/src/GPU/pair_coul_dsf_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairCoulDSFGPU : public PairCoulDSF { public: PairCoulDSFGPU(LAMMPS *lmp); - ~PairCoulDSFGPU(); + ~PairCoulDSFGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_coul_long_cs_gpu.h b/src/GPU/pair_coul_long_cs_gpu.h index b26e1c5eb9..30ff080e3c 100644 --- a/src/GPU/pair_coul_long_cs_gpu.h +++ b/src/GPU/pair_coul_long_cs_gpu.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairCoulLongCSGPU : public PairCoulLongCS { public: PairCoulLongCSGPU(LAMMPS *lmp); - ~PairCoulLongCSGPU(); + ~PairCoulLongCSGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - void reinit(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + void reinit() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_coul_long_gpu.h b/src/GPU/pair_coul_long_gpu.h index 8dbd0f936a..7012d489e1 100644 --- a/src/GPU/pair_coul_long_gpu.h +++ b/src/GPU/pair_coul_long_gpu.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairCoulLongGPU : public PairCoulLong { public: PairCoulLongGPU(LAMMPS *lmp); - ~PairCoulLongGPU(); + ~PairCoulLongGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - void reinit(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + void reinit() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_dpd_gpu.h b/src/GPU/pair_dpd_gpu.h index 72d2c249da..843e2c179d 100644 --- a/src/GPU/pair_dpd_gpu.h +++ b/src/GPU/pair_dpd_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairDPDGPU : public PairDPD { public: PairDPDGPU(LAMMPS *lmp); - ~PairDPDGPU(); + ~PairDPDGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_dpd_tstat_gpu.h b/src/GPU/pair_dpd_tstat_gpu.h index 132360bb1b..6b3da61696 100644 --- a/src/GPU/pair_dpd_tstat_gpu.h +++ b/src/GPU/pair_dpd_tstat_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairDPDTstatGPU : public PairDPDTstat { public: PairDPDTstatGPU(LAMMPS *lmp); - ~PairDPDTstatGPU(); + ~PairDPDTstatGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_eam_alloy_gpu.h b/src/GPU/pair_eam_alloy_gpu.h index 80125a8425..c2cd8a9732 100644 --- a/src/GPU/pair_eam_alloy_gpu.h +++ b/src/GPU/pair_eam_alloy_gpu.h @@ -27,22 +27,22 @@ namespace LAMMPS_NS { class PairEAMAlloyGPU : public PairEAM { public: PairEAMAlloyGPU(class LAMMPS *); - virtual ~PairEAMAlloyGPU(); - void coeff(int, char **); - void compute(int, int); - void init_style(); - double single(int, int, int, int, double, double, double, double &); - double memory_usage(); - void *extract(const char *, int &) { return nullptr; } + ~PairEAMAlloyGPU() override; + void coeff(int, char **) override; + void compute(int, int) override; + void init_style() override; + double single(int, int, int, int, double, double, double, double &) override; + double memory_usage() override; + void *extract(const char *, int &) override { return nullptr; } - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; protected: - void read_file(char *); - void file2array(); + void read_file(char *) override; + void file2array() override; int gpu_mode; double cpu_time; diff --git a/src/GPU/pair_eam_fs_gpu.h b/src/GPU/pair_eam_fs_gpu.h index 2e5bb46cad..9bb48d2ba5 100644 --- a/src/GPU/pair_eam_fs_gpu.h +++ b/src/GPU/pair_eam_fs_gpu.h @@ -27,22 +27,22 @@ namespace LAMMPS_NS { class PairEAMFSGPU : public PairEAM { public: PairEAMFSGPU(class LAMMPS *); - virtual ~PairEAMFSGPU(); - void coeff(int, char **); - void compute(int, int); - void init_style(); - double single(int, int, int, int, double, double, double, double &); - double memory_usage(); - void *extract(const char *, int &) { return nullptr; } + ~PairEAMFSGPU() override; + void coeff(int, char **) override; + void compute(int, int) override; + void init_style() override; + double single(int, int, int, int, double, double, double, double &) override; + double memory_usage() override; + void *extract(const char *, int &) override { return nullptr; } - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; protected: - void read_file(char *); - void file2array(); + void read_file(char *) override; + void file2array() override; int gpu_mode; double cpu_time; diff --git a/src/GPU/pair_eam_gpu.h b/src/GPU/pair_eam_gpu.h index 1c781dd60a..a3727051ba 100644 --- a/src/GPU/pair_eam_gpu.h +++ b/src/GPU/pair_eam_gpu.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class PairEAMGPU : public PairEAM { public: PairEAMGPU(class LAMMPS *); - virtual ~PairEAMGPU(); - void compute(int, int); - void init_style(); - double single(int, int, int, int, double, double, double, double &); - double memory_usage(); - void *extract(const char *, int &) { return nullptr; } + ~PairEAMGPU() override; + void compute(int, int) override; + void init_style() override; + double single(int, int, int, int, double, double, double, double &) override; + double memory_usage() override; + void *extract(const char *, int &) override { return nullptr; } - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_gauss_gpu.h b/src/GPU/pair_gauss_gpu.h index 3abf57ade6..5df3cce372 100644 --- a/src/GPU/pair_gauss_gpu.h +++ b/src/GPU/pair_gauss_gpu.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairGaussGPU : public PairGauss { public: PairGaussGPU(LAMMPS *lmp); - ~PairGaussGPU(); + ~PairGaussGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - void reinit(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + void reinit() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_gayberne_gpu.h b/src/GPU/pair_gayberne_gpu.h index 37c8d59214..bcb9aea958 100644 --- a/src/GPU/pair_gayberne_gpu.h +++ b/src/GPU/pair_gayberne_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairGayBerneGPU : public PairGayBerne { public: PairGayBerneGPU(LAMMPS *lmp); - ~PairGayBerneGPU(); + ~PairGayBerneGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj96_cut_gpu.h b/src/GPU/pair_lj96_cut_gpu.h index eec6eab572..a4ff23f7e7 100644 --- a/src/GPU/pair_lj96_cut_gpu.h +++ b/src/GPU/pair_lj96_cut_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJ96CutGPU : public PairLJ96Cut { public: PairLJ96CutGPU(LAMMPS *lmp); - ~PairLJ96CutGPU(); + ~PairLJ96CutGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_charmm_coul_charmm_gpu.h b/src/GPU/pair_lj_charmm_coul_charmm_gpu.h index fe3d13d59e..a9e3e6ab5c 100644 --- a/src/GPU/pair_lj_charmm_coul_charmm_gpu.h +++ b/src/GPU/pair_lj_charmm_coul_charmm_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJCharmmCoulCharmmGPU : public PairLJCharmmCoulCharmm { public: PairLJCharmmCoulCharmmGPU(LAMMPS *lmp); - ~PairLJCharmmCoulCharmmGPU(); + ~PairLJCharmmCoulCharmmGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_charmm_coul_long_gpu.h b/src/GPU/pair_lj_charmm_coul_long_gpu.h index 4c7313ab0f..d0c2716346 100644 --- a/src/GPU/pair_lj_charmm_coul_long_gpu.h +++ b/src/GPU/pair_lj_charmm_coul_long_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJCharmmCoulLongGPU : public PairLJCharmmCoulLong { public: PairLJCharmmCoulLongGPU(LAMMPS *lmp); - ~PairLJCharmmCoulLongGPU(); + ~PairLJCharmmCoulLongGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_class2_coul_long_gpu.h b/src/GPU/pair_lj_class2_coul_long_gpu.h index 8b18d659dd..46e8751ba4 100644 --- a/src/GPU/pair_lj_class2_coul_long_gpu.h +++ b/src/GPU/pair_lj_class2_coul_long_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJClass2CoulLongGPU : public PairLJClass2CoulLong { public: PairLJClass2CoulLongGPU(LAMMPS *lmp); - ~PairLJClass2CoulLongGPU(); + ~PairLJClass2CoulLongGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_class2_gpu.h b/src/GPU/pair_lj_class2_gpu.h index 44e24c13f0..35627e5eea 100644 --- a/src/GPU/pair_lj_class2_gpu.h +++ b/src/GPU/pair_lj_class2_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJClass2GPU : public PairLJClass2 { public: PairLJClass2GPU(LAMMPS *lmp); - ~PairLJClass2GPU(); + ~PairLJClass2GPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_cubic_gpu.h b/src/GPU/pair_lj_cubic_gpu.h index 30dd23671b..293e86621e 100644 --- a/src/GPU/pair_lj_cubic_gpu.h +++ b/src/GPU/pair_lj_cubic_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJCubicGPU : public PairLJCubic { public: PairLJCubicGPU(LAMMPS *lmp); - ~PairLJCubicGPU(); + ~PairLJCubicGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_cut_coul_cut_gpu.h b/src/GPU/pair_lj_cut_coul_cut_gpu.h index 7ccf2b4e0a..0e78142594 100644 --- a/src/GPU/pair_lj_cut_coul_cut_gpu.h +++ b/src/GPU/pair_lj_cut_coul_cut_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJCutCoulCutGPU : public PairLJCutCoulCut { public: PairLJCutCoulCutGPU(LAMMPS *lmp); - ~PairLJCutCoulCutGPU(); + ~PairLJCutCoulCutGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_cut_coul_debye_gpu.h b/src/GPU/pair_lj_cut_coul_debye_gpu.h index a6803eef1d..777369069b 100644 --- a/src/GPU/pair_lj_cut_coul_debye_gpu.h +++ b/src/GPU/pair_lj_cut_coul_debye_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJCutCoulDebyeGPU : public PairLJCutCoulDebye { public: PairLJCutCoulDebyeGPU(LAMMPS *lmp); - ~PairLJCutCoulDebyeGPU(); + ~PairLJCutCoulDebyeGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_cut_coul_dsf_gpu.h b/src/GPU/pair_lj_cut_coul_dsf_gpu.h index d39a97bed1..900957de40 100644 --- a/src/GPU/pair_lj_cut_coul_dsf_gpu.h +++ b/src/GPU/pair_lj_cut_coul_dsf_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJCutCoulDSFGPU : public PairLJCutCoulDSF { public: PairLJCutCoulDSFGPU(LAMMPS *lmp); - ~PairLJCutCoulDSFGPU(); + ~PairLJCutCoulDSFGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_cut_coul_long_gpu.h b/src/GPU/pair_lj_cut_coul_long_gpu.h index ef2ed3633c..6eee3d3d96 100644 --- a/src/GPU/pair_lj_cut_coul_long_gpu.h +++ b/src/GPU/pair_lj_cut_coul_long_gpu.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairLJCutCoulLongGPU : public PairLJCutCoulLong { public: PairLJCutCoulLongGPU(LAMMPS *lmp); - ~PairLJCutCoulLongGPU(); + ~PairLJCutCoulLongGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - void reinit(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + void reinit() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_cut_coul_msm_gpu.h b/src/GPU/pair_lj_cut_coul_msm_gpu.h index 0b6851d56f..ea40dd5d87 100644 --- a/src/GPU/pair_lj_cut_coul_msm_gpu.h +++ b/src/GPU/pair_lj_cut_coul_msm_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJCutCoulMSMGPU : public PairLJCutCoulMSM { public: PairLJCutCoulMSMGPU(LAMMPS *lmp); - ~PairLJCutCoulMSMGPU(); + ~PairLJCutCoulMSMGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_cut_dipole_cut_gpu.h b/src/GPU/pair_lj_cut_dipole_cut_gpu.h index 6a04332761..ae62abbf18 100644 --- a/src/GPU/pair_lj_cut_dipole_cut_gpu.h +++ b/src/GPU/pair_lj_cut_dipole_cut_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJCutDipoleCutGPU : public PairLJCutDipoleCut { public: PairLJCutDipoleCutGPU(LAMMPS *lmp); - ~PairLJCutDipoleCutGPU(); + ~PairLJCutDipoleCutGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_cut_dipole_long_gpu.h b/src/GPU/pair_lj_cut_dipole_long_gpu.h index c87e01ed86..cec97d55b6 100644 --- a/src/GPU/pair_lj_cut_dipole_long_gpu.h +++ b/src/GPU/pair_lj_cut_dipole_long_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJCutDipoleLongGPU : public PairLJCutDipoleLong { public: PairLJCutDipoleLongGPU(LAMMPS *lmp); - ~PairLJCutDipoleLongGPU(); + ~PairLJCutDipoleLongGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_cut_gpu.h b/src/GPU/pair_lj_cut_gpu.h index edc1436cdf..151e12cf01 100644 --- a/src/GPU/pair_lj_cut_gpu.h +++ b/src/GPU/pair_lj_cut_gpu.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairLJCutGPU : public PairLJCut { public: PairLJCutGPU(LAMMPS *lmp); - ~PairLJCutGPU(); + ~PairLJCutGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - void reinit(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + void reinit() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_cut_tip4p_long_gpu.h b/src/GPU/pair_lj_cut_tip4p_long_gpu.h index c2db10c9eb..3d567943c9 100644 --- a/src/GPU/pair_lj_cut_tip4p_long_gpu.h +++ b/src/GPU/pair_lj_cut_tip4p_long_gpu.h @@ -31,10 +31,10 @@ namespace LAMMPS_NS { class PairLJCutTIP4PLongGPU : public PairLJCutTIP4PLong { public: PairLJCutTIP4PLongGPU(LAMMPS *lmp); - ~PairLJCutTIP4PLongGPU(); - void compute(int, int); - void init_style(); - double memory_usage(); + ~PairLJCutTIP4PLongGPU() override; + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_expand_coul_long_gpu.h b/src/GPU/pair_lj_expand_coul_long_gpu.h index 02582e7b5e..d44cc9c11c 100644 --- a/src/GPU/pair_lj_expand_coul_long_gpu.h +++ b/src/GPU/pair_lj_expand_coul_long_gpu.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairLJExpandCoulLongGPU : public PairLJExpandCoulLong { public: PairLJExpandCoulLongGPU(LAMMPS *lmp); - ~PairLJExpandCoulLongGPU(); + ~PairLJExpandCoulLongGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - void reinit(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + void reinit() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_expand_gpu.h b/src/GPU/pair_lj_expand_gpu.h index 9edb217baa..dee3d25022 100644 --- a/src/GPU/pair_lj_expand_gpu.h +++ b/src/GPU/pair_lj_expand_gpu.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairLJExpandGPU : public PairLJExpand { public: PairLJExpandGPU(LAMMPS *lmp); - ~PairLJExpandGPU(); + ~PairLJExpandGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - void reinit(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + void reinit() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_gromacs_gpu.h b/src/GPU/pair_lj_gromacs_gpu.h index 5df649c2c3..ea7bbe81a7 100644 --- a/src/GPU/pair_lj_gromacs_gpu.h +++ b/src/GPU/pair_lj_gromacs_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJGromacsGPU : public PairLJGromacs { public: PairLJGromacsGPU(LAMMPS *lmp); - ~PairLJGromacsGPU(); + ~PairLJGromacsGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_sdk_coul_long_gpu.h b/src/GPU/pair_lj_sdk_coul_long_gpu.h index b3148efa0e..0ee52af754 100644 --- a/src/GPU/pair_lj_sdk_coul_long_gpu.h +++ b/src/GPU/pair_lj_sdk_coul_long_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJSDKCoulLongGPU : public PairLJSDKCoulLong { public: PairLJSDKCoulLongGPU(LAMMPS *lmp); - ~PairLJSDKCoulLongGPU(); + ~PairLJSDKCoulLongGPU() override; template void cpu_compute(int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_sdk_gpu.h b/src/GPU/pair_lj_sdk_gpu.h index f71bf64efb..8a70f81a64 100644 --- a/src/GPU/pair_lj_sdk_gpu.h +++ b/src/GPU/pair_lj_sdk_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJSDKGPU : public PairLJSDK { public: PairLJSDKGPU(LAMMPS *lmp); - ~PairLJSDKGPU(); + ~PairLJSDKGPU() override; template void cpu_compute(int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_sf_dipole_sf_gpu.h b/src/GPU/pair_lj_sf_dipole_sf_gpu.h index 5aaec1e92b..91bb07f244 100644 --- a/src/GPU/pair_lj_sf_dipole_sf_gpu.h +++ b/src/GPU/pair_lj_sf_dipole_sf_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJSFDipoleSFGPU : public PairLJSFDipoleSF { public: PairLJSFDipoleSFGPU(LAMMPS *lmp); - ~PairLJSFDipoleSFGPU(); + ~PairLJSFDipoleSFGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_lj_smooth_gpu.h b/src/GPU/pair_lj_smooth_gpu.h index 2624e54a20..07d9284f56 100644 --- a/src/GPU/pair_lj_smooth_gpu.h +++ b/src/GPU/pair_lj_smooth_gpu.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairLJSmoothGPU : public PairLJSmooth { public: PairLJSmoothGPU(LAMMPS *lmp); - ~PairLJSmoothGPU(); + ~PairLJSmoothGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - void reinit(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + void reinit() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_mie_cut_gpu.h b/src/GPU/pair_mie_cut_gpu.h index c168c69c42..c6516eb01c 100644 --- a/src/GPU/pair_mie_cut_gpu.h +++ b/src/GPU/pair_mie_cut_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairMIECutGPU : public PairMIECut { public: PairMIECutGPU(LAMMPS *lmp); - ~PairMIECutGPU(); + ~PairMIECutGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_morse_gpu.h b/src/GPU/pair_morse_gpu.h index 09d6c53e3b..4da208de23 100644 --- a/src/GPU/pair_morse_gpu.h +++ b/src/GPU/pair_morse_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairMorseGPU : public PairMorse { public: PairMorseGPU(LAMMPS *lmp); - ~PairMorseGPU(); + ~PairMorseGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_resquared_gpu.h b/src/GPU/pair_resquared_gpu.h index 9096e88f3d..b808607af8 100644 --- a/src/GPU/pair_resquared_gpu.h +++ b/src/GPU/pair_resquared_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairRESquaredGPU : public PairRESquared { public: PairRESquaredGPU(LAMMPS *lmp); - ~PairRESquaredGPU(); + ~PairRESquaredGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_soft_gpu.h b/src/GPU/pair_soft_gpu.h index 3e84d2e58a..2f42a3a075 100644 --- a/src/GPU/pair_soft_gpu.h +++ b/src/GPU/pair_soft_gpu.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairSoftGPU : public PairSoft { public: PairSoftGPU(LAMMPS *lmp); - ~PairSoftGPU(); + ~PairSoftGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - void reinit(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + void reinit() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_sw_gpu.h b/src/GPU/pair_sw_gpu.h index 8f9abe6478..4fe5d538b3 100644 --- a/src/GPU/pair_sw_gpu.h +++ b/src/GPU/pair_sw_gpu.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class PairSWGPU : public PairSW { public: PairSWGPU(class LAMMPS *); - ~PairSWGPU(); - void compute(int, int); - double init_one(int, int); - void init_style(); + ~PairSWGPU() override; + void compute(int, int) override; + double init_one(int, int) override; + void init_style() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; protected: - void allocate(); + void allocate() override; int gpu_mode; double cpu_time; diff --git a/src/GPU/pair_table_gpu.h b/src/GPU/pair_table_gpu.h index 6623a4c41c..9653e65524 100644 --- a/src/GPU/pair_table_gpu.h +++ b/src/GPU/pair_table_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairTableGPU : public PairTable { public: PairTableGPU(LAMMPS *lmp); - ~PairTableGPU(); + ~PairTableGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_tersoff_gpu.h b/src/GPU/pair_tersoff_gpu.h index 9f981f8ca4..700b0b3284 100644 --- a/src/GPU/pair_tersoff_gpu.h +++ b/src/GPU/pair_tersoff_gpu.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class PairTersoffGPU : public PairTersoff { public: PairTersoffGPU(class LAMMPS *); - ~PairTersoffGPU(); - void compute(int, int); - double init_one(int, int); - void init_style(); + ~PairTersoffGPU() override; + void compute(int, int) override; + double init_one(int, int) override; + void init_style() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; protected: - void allocate(); + void allocate() override; int gpu_mode; double cpu_time; diff --git a/src/GPU/pair_tersoff_mod_gpu.h b/src/GPU/pair_tersoff_mod_gpu.h index 31abc0c258..e7a550b616 100644 --- a/src/GPU/pair_tersoff_mod_gpu.h +++ b/src/GPU/pair_tersoff_mod_gpu.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class PairTersoffMODGPU : public PairTersoffMOD { public: PairTersoffMODGPU(class LAMMPS *); - ~PairTersoffMODGPU(); - void compute(int, int); - double init_one(int, int); - void init_style(); + ~PairTersoffMODGPU() override; + void compute(int, int) override; + double init_one(int, int) override; + void init_style() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; protected: - void allocate(); + void allocate() override; int gpu_mode; double cpu_time; diff --git a/src/GPU/pair_tersoff_zbl_gpu.h b/src/GPU/pair_tersoff_zbl_gpu.h index a52b633302..566d3356b0 100644 --- a/src/GPU/pair_tersoff_zbl_gpu.h +++ b/src/GPU/pair_tersoff_zbl_gpu.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class PairTersoffZBLGPU : public PairTersoffZBL { public: PairTersoffZBLGPU(class LAMMPS *); - ~PairTersoffZBLGPU(); - void compute(int, int); - double init_one(int, int); - void init_style(); + ~PairTersoffZBLGPU() override; + void compute(int, int) override; + double init_one(int, int) override; + void init_style() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; protected: - void allocate(); + void allocate() override; int gpu_mode; double cpu_time; diff --git a/src/GPU/pair_ufm_gpu.h b/src/GPU/pair_ufm_gpu.h index 0ebd6b7537..43104cb07d 100644 --- a/src/GPU/pair_ufm_gpu.h +++ b/src/GPU/pair_ufm_gpu.h @@ -33,12 +33,12 @@ namespace LAMMPS_NS { class PairUFMGPU : public PairUFM { public: PairUFMGPU(LAMMPS *lmp); - ~PairUFMGPU(); + ~PairUFMGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - void reinit(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + void reinit() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_vashishta_gpu.h b/src/GPU/pair_vashishta_gpu.h index 4f194bffc7..171f8b1b6d 100644 --- a/src/GPU/pair_vashishta_gpu.h +++ b/src/GPU/pair_vashishta_gpu.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class PairVashishtaGPU : public PairVashishta { public: PairVashishtaGPU(class LAMMPS *); - ~PairVashishtaGPU(); - void compute(int, int); - double init_one(int, int); - void init_style(); + ~PairVashishtaGPU() override; + void compute(int, int) override; + double init_one(int, int) override; + void init_style() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_yukawa_colloid_gpu.h b/src/GPU/pair_yukawa_colloid_gpu.h index 4af9dd1b63..e9a2cff98c 100644 --- a/src/GPU/pair_yukawa_colloid_gpu.h +++ b/src/GPU/pair_yukawa_colloid_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairYukawaColloidGPU : public PairYukawaColloid { public: PairYukawaColloidGPU(LAMMPS *lmp); - ~PairYukawaColloidGPU(); + ~PairYukawaColloidGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_yukawa_gpu.h b/src/GPU/pair_yukawa_gpu.h index a8a9194784..b08376e528 100644 --- a/src/GPU/pair_yukawa_gpu.h +++ b/src/GPU/pair_yukawa_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairYukawaGPU : public PairYukawa { public: PairYukawaGPU(LAMMPS *lmp); - ~PairYukawaGPU(); + ~PairYukawaGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GPU/pair_zbl_gpu.h b/src/GPU/pair_zbl_gpu.h index 39811598b3..6fcfd82abd 100644 --- a/src/GPU/pair_zbl_gpu.h +++ b/src/GPU/pair_zbl_gpu.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairZBLGPU : public PairZBL { public: PairZBLGPU(LAMMPS *lmp); - ~PairZBLGPU(); + ~PairZBLGPU() override; void cpu_compute(int, int, int, int, int *, int *, int **); - void compute(int, int); - void init_style(); - double memory_usage(); + void compute(int, int) override; + void init_style() override; + double memory_usage() override; enum { GPU_FORCE, GPU_NEIGH, GPU_HYB_NEIGH }; diff --git a/src/GRANULAR/pair_gran_hertz_history.h b/src/GRANULAR/pair_gran_hertz_history.h index 1b02567119..cc8f79347c 100644 --- a/src/GRANULAR/pair_gran_hertz_history.h +++ b/src/GRANULAR/pair_gran_hertz_history.h @@ -27,9 +27,9 @@ namespace LAMMPS_NS { class PairGranHertzHistory : public PairGranHookeHistory { public: PairGranHertzHistory(class LAMMPS *); - virtual void compute(int, int); - void settings(int, char **); - double single(int, int, int, int, double, double, double, double &); + void compute(int, int) override; + void settings(int, char **) override; + double single(int, int, int, int, double, double, double, double &) override; }; } // namespace LAMMPS_NS diff --git a/src/GRANULAR/pair_gran_hooke.h b/src/GRANULAR/pair_gran_hooke.h index c43394012b..7f616d9c98 100644 --- a/src/GRANULAR/pair_gran_hooke.h +++ b/src/GRANULAR/pair_gran_hooke.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class PairGranHooke : public PairGranHookeHistory { public: PairGranHooke(class LAMMPS *); - virtual void compute(int, int); - double single(int, int, int, int, double, double, double, double &); + void compute(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; }; } // namespace LAMMPS_NS diff --git a/src/GRANULAR/pair_gran_hooke_history.h b/src/GRANULAR/pair_gran_hooke_history.h index 22557bba6a..e81e5c0939 100644 --- a/src/GRANULAR/pair_gran_hooke_history.h +++ b/src/GRANULAR/pair_gran_hooke_history.h @@ -27,23 +27,23 @@ namespace LAMMPS_NS { class PairGranHookeHistory : public Pair { public: PairGranHookeHistory(class LAMMPS *); - virtual ~PairGranHookeHistory(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void reset_dt(); - virtual double single(int, int, int, int, double, double, double, double &); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - double memory_usage(); - double atom2cut(int); - double radii2cut(double, double); + ~PairGranHookeHistory() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void reset_dt() override; + double single(int, int, int, int, double, double, double, double &) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + double memory_usage() override; + double atom2cut(int) override; + double radii2cut(double, double) override; protected: double kn, kt, gamman, gammat, xmu; diff --git a/src/GRANULAR/pair_granular.h b/src/GRANULAR/pair_granular.h index 3430f0ebb7..5961e28887 100644 --- a/src/GRANULAR/pair_granular.h +++ b/src/GRANULAR/pair_granular.h @@ -27,21 +27,21 @@ namespace LAMMPS_NS { class PairGranular : public Pair { public: PairGranular(class LAMMPS *); - ~PairGranular(); - void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void reset_dt(); - double single(int, int, int, int, double, double, double, double &); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - double memory_usage(); - double atom2cut(int); - double radii2cut(double, double); + ~PairGranular() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void reset_dt() override; + double single(int, int, int, int, double, double, double, double &) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + double memory_usage() override; + double atom2cut(int) override; + double radii2cut(double, double) override; protected: double dt; @@ -63,7 +63,7 @@ class PairGranular : public Pair { int nmax; // allocated size of mass_rigid void allocate(); - void transfer_history(double *, double *); + void transfer_history(double *, double *) override; private: int size_history; diff --git a/src/INTEL/pair_airebo_intel.h b/src/INTEL/pair_airebo_intel.h index 32ae3a6581..8cd504aadb 100644 --- a/src/INTEL/pair_airebo_intel.h +++ b/src/INTEL/pair_airebo_intel.h @@ -36,9 +36,9 @@ template struct PairAIREBOIntelParam; class PairAIREBOIntel : public PairAIREBO { public: PairAIREBOIntel(class LAMMPS *); - virtual ~PairAIREBOIntel(); - virtual void compute(int, int); - virtual void init_style(); + ~PairAIREBOIntel() override; + void compute(int, int) override; + void init_style() override; protected: template diff --git a/src/INTEL/pair_airebo_morse_intel.h b/src/INTEL/pair_airebo_morse_intel.h index 75d5808e85..1d75c632ea 100644 --- a/src/INTEL/pair_airebo_morse_intel.h +++ b/src/INTEL/pair_airebo_morse_intel.h @@ -32,7 +32,7 @@ namespace LAMMPS_NS { class PairAIREBOMorseIntel : public PairAIREBOIntel { public: PairAIREBOMorseIntel(class LAMMPS *); - virtual void settings(int, char **); + void settings(int, char **) override; }; } // namespace LAMMPS_NS diff --git a/src/INTEL/pair_buck_coul_cut_intel.h b/src/INTEL/pair_buck_coul_cut_intel.h index 9fe35affe4..731536a6c6 100644 --- a/src/INTEL/pair_buck_coul_cut_intel.h +++ b/src/INTEL/pair_buck_coul_cut_intel.h @@ -35,9 +35,9 @@ class PairBuckCoulCutIntel : public PairBuckCoulCut { public: PairBuckCoulCutIntel(class LAMMPS *); - virtual ~PairBuckCoulCutIntel(); - virtual void compute(int, int); - void init_style(); + ~PairBuckCoulCutIntel() override; + void compute(int, int) override; + void init_style() override; typedef struct { float x, y, z; int w; diff --git a/src/INTEL/pair_buck_coul_long_intel.h b/src/INTEL/pair_buck_coul_long_intel.h index 01865afc56..4412e25a9c 100644 --- a/src/INTEL/pair_buck_coul_long_intel.h +++ b/src/INTEL/pair_buck_coul_long_intel.h @@ -34,9 +34,9 @@ class PairBuckCoulLongIntel : public PairBuckCoulLong { public: PairBuckCoulLongIntel(class LAMMPS *); - virtual ~PairBuckCoulLongIntel(); - virtual void compute(int, int); - void init_style(); + ~PairBuckCoulLongIntel() override; + void compute(int, int) override; + void init_style() override; typedef struct { float x, y, z; int w; diff --git a/src/INTEL/pair_buck_intel.h b/src/INTEL/pair_buck_intel.h index 307c8eb7b0..baebdf8fd6 100644 --- a/src/INTEL/pair_buck_intel.h +++ b/src/INTEL/pair_buck_intel.h @@ -34,9 +34,9 @@ class PairBuckIntel : public PairBuck { public: PairBuckIntel(class LAMMPS *); - virtual ~PairBuckIntel(); - virtual void compute(int, int); - void init_style(); + ~PairBuckIntel() override; + void compute(int, int) override; + void init_style() override; typedef struct { float x, y, z; int w; diff --git a/src/INTEL/pair_dpd_intel.h b/src/INTEL/pair_dpd_intel.h index 3e5c9b7d69..52ba6c3ed3 100644 --- a/src/INTEL/pair_dpd_intel.h +++ b/src/INTEL/pair_dpd_intel.h @@ -41,12 +41,12 @@ class PairDPDIntel : public PairDPD { public: PairDPDIntel(class LAMMPS *); - ~PairDPDIntel(); + ~PairDPDIntel() override; - virtual void compute(int, int); - void settings(int, char **); - void init_style(); - void read_restart_settings(FILE *); + void compute(int, int) override; + void settings(int, char **) override; + void init_style() override; + void read_restart_settings(FILE *) override; private: FixIntel *fix; diff --git a/src/INTEL/pair_eam_alloy_intel.h b/src/INTEL/pair_eam_alloy_intel.h index 07f7df11ca..3b2c640c6f 100644 --- a/src/INTEL/pair_eam_alloy_intel.h +++ b/src/INTEL/pair_eam_alloy_intel.h @@ -30,12 +30,12 @@ namespace LAMMPS_NS { class PairEAMAlloyIntel : virtual public PairEAMIntel { public: PairEAMAlloyIntel(class LAMMPS *); - virtual ~PairEAMAlloyIntel() {} - void coeff(int, char **); + + void coeff(int, char **) override; protected: - void read_file(char *); - void file2array(); + void read_file(char *) override; + void file2array() override; }; } // namespace LAMMPS_NS diff --git a/src/INTEL/pair_eam_fs_intel.h b/src/INTEL/pair_eam_fs_intel.h index 103e3a9c4b..f09274e02a 100644 --- a/src/INTEL/pair_eam_fs_intel.h +++ b/src/INTEL/pair_eam_fs_intel.h @@ -30,12 +30,12 @@ namespace LAMMPS_NS { class PairEAMFSIntel : virtual public PairEAMIntel { public: PairEAMFSIntel(class LAMMPS *); - virtual ~PairEAMFSIntel() {} - void coeff(int, char **); + + void coeff(int, char **) override; protected: - void read_file(char *); - void file2array(); + void read_file(char *) override; + void file2array() override; }; } // namespace LAMMPS_NS diff --git a/src/INTEL/pair_eam_intel.h b/src/INTEL/pair_eam_intel.h index 6ea6a6b06c..54f3da4271 100644 --- a/src/INTEL/pair_eam_intel.h +++ b/src/INTEL/pair_eam_intel.h @@ -31,11 +31,11 @@ class PairEAMIntel : public PairEAM { friend class FixSemiGrandCanonicalMC; // Alex Stukowski option PairEAMIntel(class LAMMPS *); - virtual ~PairEAMIntel(); - virtual void compute(int, int); - void init_style(); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + ~PairEAMIntel() override; + void compute(int, int) override; + void init_style() override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; protected: FixIntel *fix; diff --git a/src/INTEL/pair_gayberne_intel.h b/src/INTEL/pair_gayberne_intel.h index 67132770bf..926cbda6fd 100644 --- a/src/INTEL/pair_gayberne_intel.h +++ b/src/INTEL/pair_gayberne_intel.h @@ -35,8 +35,8 @@ class PairGayBerneIntel : public PairGayBerne { public: PairGayBerneIntel(class LAMMPS *); - virtual void compute(int, int); - void init_style(); + void compute(int, int) override; + void init_style() override; private: template class ForceConst; diff --git a/src/INTEL/pair_lj_charmm_coul_charmm_intel.h b/src/INTEL/pair_lj_charmm_coul_charmm_intel.h index 69cf1bcf17..4915a93dae 100644 --- a/src/INTEL/pair_lj_charmm_coul_charmm_intel.h +++ b/src/INTEL/pair_lj_charmm_coul_charmm_intel.h @@ -34,10 +34,10 @@ class PairLJCharmmCoulCharmmIntel : public PairLJCharmmCoulCharmm { public: PairLJCharmmCoulCharmmIntel(class LAMMPS *); - virtual ~PairLJCharmmCoulCharmmIntel(); + ~PairLJCharmmCoulCharmmIntel() override; - virtual void compute(int, int); - void init_style(); + void compute(int, int) override; + void init_style() override; typedef struct { float x, y, z; diff --git a/src/INTEL/pair_lj_charmm_coul_long_intel.h b/src/INTEL/pair_lj_charmm_coul_long_intel.h index 95366b6218..e3a2065e27 100644 --- a/src/INTEL/pair_lj_charmm_coul_long_intel.h +++ b/src/INTEL/pair_lj_charmm_coul_long_intel.h @@ -34,10 +34,10 @@ class PairLJCharmmCoulLongIntel : public PairLJCharmmCoulLong { public: PairLJCharmmCoulLongIntel(class LAMMPS *); - virtual ~PairLJCharmmCoulLongIntel(); + ~PairLJCharmmCoulLongIntel() override; - virtual void compute(int, int); - void init_style(); + void compute(int, int) override; + void init_style() override; typedef struct { float x, y, z; diff --git a/src/INTEL/pair_lj_cut_coul_long_intel.h b/src/INTEL/pair_lj_cut_coul_long_intel.h index c72c9a9ded..903e60070b 100644 --- a/src/INTEL/pair_lj_cut_coul_long_intel.h +++ b/src/INTEL/pair_lj_cut_coul_long_intel.h @@ -34,10 +34,10 @@ class PairLJCutCoulLongIntel : public PairLJCutCoulLong { public: PairLJCutCoulLongIntel(class LAMMPS *); - virtual ~PairLJCutCoulLongIntel(); + ~PairLJCutCoulLongIntel() override; - virtual void compute(int, int); - void init_style(); + void compute(int, int) override; + void init_style() override; typedef struct { float x, y, z; diff --git a/src/INTEL/pair_lj_cut_intel.h b/src/INTEL/pair_lj_cut_intel.h index 6003a376a0..e65fbf9865 100644 --- a/src/INTEL/pair_lj_cut_intel.h +++ b/src/INTEL/pair_lj_cut_intel.h @@ -35,8 +35,8 @@ class PairLJCutIntel : public PairLJCut { public: PairLJCutIntel(class LAMMPS *); - virtual void compute(int, int); - void init_style(); + void compute(int, int) override; + void init_style() override; private: FixIntel *fix; diff --git a/src/INTEL/pair_lj_long_coul_long_intel.h b/src/INTEL/pair_lj_long_coul_long_intel.h index 6faa2519a3..7055930087 100644 --- a/src/INTEL/pair_lj_long_coul_long_intel.h +++ b/src/INTEL/pair_lj_long_coul_long_intel.h @@ -32,7 +32,7 @@ namespace LAMMPS_NS { class PairLJLongCoulLongIntel : public PairLJLongCoulLong { public: PairLJLongCoulLongIntel(class LAMMPS *); - virtual ~PairLJLongCoulLongIntel(); + ~PairLJLongCoulLongIntel() override; }; } // namespace LAMMPS_NS #endif diff --git a/src/INTEL/pair_rebo_intel.h b/src/INTEL/pair_rebo_intel.h index 76b915a1d8..478a95e945 100644 --- a/src/INTEL/pair_rebo_intel.h +++ b/src/INTEL/pair_rebo_intel.h @@ -32,7 +32,7 @@ namespace LAMMPS_NS { class PairREBOIntel : public PairAIREBOIntel { public: PairREBOIntel(class LAMMPS *); - virtual void settings(int, char **); + void settings(int, char **) override; }; } // namespace LAMMPS_NS diff --git a/src/INTEL/pair_sw_intel.h b/src/INTEL/pair_sw_intel.h index 55da7eb261..b0ade4bb9d 100644 --- a/src/INTEL/pair_sw_intel.h +++ b/src/INTEL/pair_sw_intel.h @@ -33,16 +33,16 @@ namespace LAMMPS_NS { class PairSWIntel : public PairSW { public: PairSWIntel(class LAMMPS *); - virtual ~PairSWIntel(); - virtual void compute(int, int); - virtual void init_style(); + ~PairSWIntel() override; + void compute(int, int) override; + void init_style() override; protected: FixIntel *fix; int _cop; template class ForceConst; - virtual void allocate(); + void allocate() override; template void compute(int eflag, int vflag, IntelBuffers *buffers, diff --git a/src/INTERLAYER/pair_coul_shield.h b/src/INTERLAYER/pair_coul_shield.h index 10ace5ebd2..9bc3a37fce 100644 --- a/src/INTERLAYER/pair_coul_shield.h +++ b/src/INTERLAYER/pair_coul_shield.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairCoulShield : public Pair { public: PairCoulShield(class LAMMPS *); - virtual ~PairCoulShield(); + ~PairCoulShield() override; - virtual void compute(int, int); + void compute(int, int) override; - virtual void settings(int, char **); - virtual void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - virtual void write_restart(FILE *); - virtual void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; - virtual double single(int, int, int, int, double, double, double, double &); + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_global; diff --git a/src/INTERLAYER/pair_drip.h b/src/INTERLAYER/pair_drip.h index eb854b585b..feaa3df570 100644 --- a/src/INTERLAYER/pair_drip.h +++ b/src/INTERLAYER/pair_drip.h @@ -36,13 +36,13 @@ namespace LAMMPS_NS { class PairDRIP : public Pair { public: PairDRIP(class LAMMPS *); - virtual ~PairDRIP(); + ~PairDRIP() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void init_style(); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void init_style() override; static constexpr int NPARAMS_PER_LINE = 15; typedef double V3[3]; diff --git a/src/INTERLAYER/pair_ilp_graphene_hbn.h b/src/INTERLAYER/pair_ilp_graphene_hbn.h index c89ef47a21..151f8d1738 100644 --- a/src/INTERLAYER/pair_ilp_graphene_hbn.h +++ b/src/INTERLAYER/pair_ilp_graphene_hbn.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairILPGrapheneHBN : public Pair { public: PairILPGrapheneHBN(class LAMMPS *); - virtual ~PairILPGrapheneHBN(); + ~PairILPGrapheneHBN() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void init_style(); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void init_style() override; void ILP_neigh(); void calc_normal(); void calc_FRep(int, int); void calc_FvdW(int, int); - double single(int, int, int, int, double, double, double, double &); + double single(int, int, int, int, double, double, double, double &) override; static constexpr int NPARAMS_PER_LINE = 13; diff --git a/src/INTERLAYER/pair_kolmogorov_crespi_full.h b/src/INTERLAYER/pair_kolmogorov_crespi_full.h index b7264a0883..1176b13d52 100644 --- a/src/INTERLAYER/pair_kolmogorov_crespi_full.h +++ b/src/INTERLAYER/pair_kolmogorov_crespi_full.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairKolmogorovCrespiFull : public Pair { public: PairKolmogorovCrespiFull(class LAMMPS *); - virtual ~PairKolmogorovCrespiFull(); + ~PairKolmogorovCrespiFull() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void init_style(); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void init_style() override; void KC_neigh(); void calc_normal(); void calc_FRep(int, int); void calc_FvdW(int, int); - double single(int, int, int, int, double, double, double, double &); + double single(int, int, int, int, double, double, double, double &) override; static constexpr int NPARAMS_PER_LINE = 12; diff --git a/src/INTERLAYER/pair_kolmogorov_crespi_z.h b/src/INTERLAYER/pair_kolmogorov_crespi_z.h index dc73f838a2..61e8dba7bd 100644 --- a/src/INTERLAYER/pair_kolmogorov_crespi_z.h +++ b/src/INTERLAYER/pair_kolmogorov_crespi_z.h @@ -27,13 +27,13 @@ namespace LAMMPS_NS { class PairKolmogorovCrespiZ : public Pair { public: PairKolmogorovCrespiZ(class LAMMPS *); - virtual ~PairKolmogorovCrespiZ(); + ~PairKolmogorovCrespiZ() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; static constexpr int NPARAMS_PER_LINE = 11; diff --git a/src/INTERLAYER/pair_lebedeva_z.h b/src/INTERLAYER/pair_lebedeva_z.h index 9b715b185d..8b59e0115f 100644 --- a/src/INTERLAYER/pair_lebedeva_z.h +++ b/src/INTERLAYER/pair_lebedeva_z.h @@ -27,13 +27,13 @@ namespace LAMMPS_NS { class PairLebedevaZ : public Pair { public: PairLebedevaZ(class LAMMPS *); - virtual ~PairLebedevaZ(); + ~PairLebedevaZ() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; static constexpr int NPARAMS_PER_LINE = 12; diff --git a/src/KOKKOS/pair_buck_coul_cut_kokkos.h b/src/KOKKOS/pair_buck_coul_cut_kokkos.h index 265d625a65..482ee8adf0 100644 --- a/src/KOKKOS/pair_buck_coul_cut_kokkos.h +++ b/src/KOKKOS/pair_buck_coul_cut_kokkos.h @@ -37,13 +37,13 @@ class PairBuckCoulCutKokkos : public PairBuckCoulCut { typedef DeviceType device_type; typedef ArrayTypes AT; PairBuckCoulCutKokkos(class LAMMPS *); - ~PairBuckCoulCutKokkos(); + ~PairBuckCoulCutKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; struct params_buck_coul{ KOKKOS_INLINE_FUNCTION @@ -110,7 +110,7 @@ class PairBuckCoulCutKokkos : public PairBuckCoulCut { double special_lj[4], special_coul[4]; double qqrd2e; - void allocate(); + void allocate() override; friend struct PairComputeFunctor; friend struct PairComputeFunctor; diff --git a/src/KOKKOS/pair_buck_coul_long_kokkos.h b/src/KOKKOS/pair_buck_coul_long_kokkos.h index 3a1a8ad9ab..d3119a48bb 100644 --- a/src/KOKKOS/pair_buck_coul_long_kokkos.h +++ b/src/KOKKOS/pair_buck_coul_long_kokkos.h @@ -37,14 +37,14 @@ class PairBuckCoulLongKokkos : public PairBuckCoulLong { typedef DeviceType device_type; typedef ArrayTypes AT; PairBuckCoulLongKokkos(class LAMMPS *); - ~PairBuckCoulLongKokkos(); + ~PairBuckCoulLongKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_tables(double cut_coul, double *cut_respa); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_tables(double cut_coul, double *cut_respa) override; + void init_style() override; + double init_one(int, int) override; struct params_buck_coul{ KOKKOS_INLINE_FUNCTION @@ -113,7 +113,7 @@ class PairBuckCoulLongKokkos : public PairBuckCoulLong { double special_lj[4], special_coul[4]; double qqrd2e; - void allocate(); + void allocate() override; friend struct PairComputeFunctor >; friend struct PairComputeFunctor >; diff --git a/src/KOKKOS/pair_buck_kokkos.h b/src/KOKKOS/pair_buck_kokkos.h index 7f5f63df3c..a5b056978d 100644 --- a/src/KOKKOS/pair_buck_kokkos.h +++ b/src/KOKKOS/pair_buck_kokkos.h @@ -37,12 +37,12 @@ class PairBuckKokkos : public PairBuck { typedef DeviceType device_type; typedef ArrayTypes AT; PairBuckKokkos(class LAMMPS *); - ~PairBuckKokkos(); + ~PairBuckKokkos() override; - void compute(int, int); + void compute(int, int) override; - void init_style(); - double init_one(int, int); + void init_style() override; + double init_one(int, int) override; struct params_buck{ KOKKOS_INLINE_FUNCTION @@ -91,7 +91,7 @@ class PairBuckKokkos : public PairBuck { int neighflag; int nlocal,nall,eflag,vflag; - void allocate(); + void allocate() override; friend struct PairComputeFunctor; friend struct PairComputeFunctor; friend struct PairComputeFunctor; diff --git a/src/KOKKOS/pair_coul_cut_kokkos.h b/src/KOKKOS/pair_coul_cut_kokkos.h index 434abb81c7..8f8da02db6 100644 --- a/src/KOKKOS/pair_coul_cut_kokkos.h +++ b/src/KOKKOS/pair_coul_cut_kokkos.h @@ -37,13 +37,13 @@ class PairCoulCutKokkos : public PairCoulCut { typedef DeviceType device_type; typedef ArrayTypes AT; PairCoulCutKokkos(class LAMMPS *); - ~PairCoulCutKokkos(); + ~PairCoulCutKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; struct params_coul{ KOKKOS_INLINE_FUNCTION @@ -111,7 +111,7 @@ class PairCoulCutKokkos : public PairCoulCut { double special_lj[4]; double qqrd2e; - void allocate(); + void allocate() override; friend struct PairComputeFunctor; friend struct PairComputeFunctor; friend struct PairComputeFunctor; diff --git a/src/KOKKOS/pair_coul_debye_kokkos.h b/src/KOKKOS/pair_coul_debye_kokkos.h index 87f45c01da..963c42858d 100644 --- a/src/KOKKOS/pair_coul_debye_kokkos.h +++ b/src/KOKKOS/pair_coul_debye_kokkos.h @@ -37,13 +37,13 @@ class PairCoulDebyeKokkos : public PairCoulDebye { typedef DeviceType device_type; typedef ArrayTypes AT; PairCoulDebyeKokkos(class LAMMPS *); - ~PairCoulDebyeKokkos(); + ~PairCoulDebyeKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; struct params_coul{ KOKKOS_INLINE_FUNCTION @@ -111,7 +111,7 @@ class PairCoulDebyeKokkos : public PairCoulDebye { double special_lj[4]; double qqrd2e; - void allocate(); + void allocate() override; friend struct PairComputeFunctor; friend struct PairComputeFunctor; friend struct PairComputeFunctor; diff --git a/src/KOKKOS/pair_coul_dsf_kokkos.h b/src/KOKKOS/pair_coul_dsf_kokkos.h index 74c3ed2bb7..fdd8556a0d 100644 --- a/src/KOKKOS/pair_coul_dsf_kokkos.h +++ b/src/KOKKOS/pair_coul_dsf_kokkos.h @@ -41,10 +41,10 @@ class PairCoulDSFKokkos : public PairCoulDSF { typedef ArrayTypes AT; typedef EV_FLOAT value_type; PairCoulDSFKokkos(class LAMMPS *); - ~PairCoulDSFKokkos(); + ~PairCoulDSFKokkos() override; - void compute(int, int); - void init_style(); + void compute(int, int) override; + void init_style() override; template KOKKOS_INLINE_FUNCTION diff --git a/src/KOKKOS/pair_coul_long_kokkos.h b/src/KOKKOS/pair_coul_long_kokkos.h index 37e2734f35..5768bfb9bf 100644 --- a/src/KOKKOS/pair_coul_long_kokkos.h +++ b/src/KOKKOS/pair_coul_long_kokkos.h @@ -37,14 +37,14 @@ class PairCoulLongKokkos : public PairCoulLong { typedef DeviceType device_type; typedef ArrayTypes AT; PairCoulLongKokkos(class LAMMPS *); - ~PairCoulLongKokkos(); + ~PairCoulLongKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_tables(double cut_coul, double *cut_respa); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_tables(double cut_coul, double *cut_respa) override; + void init_style() override; + double init_one(int, int) override; struct params_coul{ KOKKOS_INLINE_FUNCTION @@ -112,7 +112,7 @@ class PairCoulLongKokkos : public PairCoulLong { double special_lj[4], special_coul[4]; double qqrd2e; - void allocate(); + void allocate() override; friend struct PairComputeFunctor >; friend struct PairComputeFunctor >; diff --git a/src/KOKKOS/pair_coul_wolf_kokkos.h b/src/KOKKOS/pair_coul_wolf_kokkos.h index afcda38733..dc30a8e08e 100644 --- a/src/KOKKOS/pair_coul_wolf_kokkos.h +++ b/src/KOKKOS/pair_coul_wolf_kokkos.h @@ -41,10 +41,10 @@ class PairCoulWolfKokkos : public PairCoulWolf { typedef ArrayTypes AT; typedef EV_FLOAT value_type; PairCoulWolfKokkos(class LAMMPS *); - ~PairCoulWolfKokkos(); + ~PairCoulWolfKokkos() override; - void compute(int, int); - void init_style(); + void compute(int, int) override; + void init_style() override; template KOKKOS_INLINE_FUNCTION diff --git a/src/KOKKOS/pair_dpd_fdt_energy_kokkos.h b/src/KOKKOS/pair_dpd_fdt_energy_kokkos.h index db471cbd5f..f89c6cfaad 100644 --- a/src/KOKKOS/pair_dpd_fdt_energy_kokkos.h +++ b/src/KOKKOS/pair_dpd_fdt_energy_kokkos.h @@ -54,10 +54,10 @@ class PairDPDfdtEnergyKokkos : public PairDPDfdtEnergy { typedef EV_FLOAT value_type; PairDPDfdtEnergyKokkos(class LAMMPS *); - virtual ~PairDPDfdtEnergyKokkos(); - virtual void compute(int, int); - void init_style(); - double init_one(int, int); + ~PairDPDfdtEnergyKokkos() override; + void compute(int, int) override; + void init_style() override; + double init_one(int, int) override; KOKKOS_INLINE_FUNCTION void operator()(TagPairDPDfdtEnergyZero, const int&) const; @@ -118,7 +118,7 @@ class PairDPDfdtEnergyKokkos : public PairDPDfdtEnergy { double boltz,ftm2v; double special_lj[4]; - virtual void allocate(); + void allocate() override; Kokkos::DualView k_params; typename Kokkos::DualView PairExp6ParamData; PairExp6ParamDataTypeKokkosVect PairExp6ParamDataVect; - void allocate(); + void allocate() override; DAT::tdual_int_1d k_mol2param; // mapping from molecule to parameters typename AT::t_int_1d_randomread d_mol2param; @@ -178,8 +178,8 @@ class PairExp6rxKokkos : public PairExp6rx { typename ArrayTypes::tdual_ffloat_2d k_cutsq; typename ArrayTypes::t_ffloat_2d d_cutsq; - void read_file(char *); - void setup(); + void read_file(char *) override; + void setup() override; KOKKOS_INLINE_FUNCTION void getMixingWeights(int, double &, double &, double &, double &, double &, double &, double &, double &, double &, double &, double &, double &, double &, double &, double &, double &) const; diff --git a/src/KOKKOS/pair_gran_hooke_history_kokkos.h b/src/KOKKOS/pair_gran_hooke_history_kokkos.h index 37fb208a70..80693b33ac 100644 --- a/src/KOKKOS/pair_gran_hooke_history_kokkos.h +++ b/src/KOKKOS/pair_gran_hooke_history_kokkos.h @@ -45,9 +45,9 @@ class PairGranHookeHistoryKokkos : public PairGranHookeHistory { typedef EV_FLOAT value_type; PairGranHookeHistoryKokkos(class LAMMPS *); - virtual ~PairGranHookeHistoryKokkos(); - virtual void compute(int, int); - void init_style(); + ~PairGranHookeHistoryKokkos() override; + void compute(int, int) override; + void init_style() override; KOKKOS_INLINE_FUNCTION void operator()(TagPairGranHookeHistoryReduce, const int ii) const; diff --git a/src/KOKKOS/pair_hybrid_kokkos.h b/src/KOKKOS/pair_hybrid_kokkos.h index fbabe4162c..9086f20fcc 100644 --- a/src/KOKKOS/pair_hybrid_kokkos.h +++ b/src/KOKKOS/pair_hybrid_kokkos.h @@ -38,8 +38,8 @@ class PairHybridKokkos : public PairHybrid { typedef LMPDeviceType device_type; PairHybridKokkos(class LAMMPS *); - virtual ~PairHybridKokkos(); - void compute(int, int); + ~PairHybridKokkos() override; + void compute(int, int) override; private: DAT::t_x_array_randomread x; diff --git a/src/KOKKOS/pair_hybrid_overlay_kokkos.h b/src/KOKKOS/pair_hybrid_overlay_kokkos.h index fc8efd038b..e14e5929c9 100644 --- a/src/KOKKOS/pair_hybrid_overlay_kokkos.h +++ b/src/KOKKOS/pair_hybrid_overlay_kokkos.h @@ -28,8 +28,7 @@ namespace LAMMPS_NS { class PairHybridOverlayKokkos : public PairHybridKokkos { public: PairHybridOverlayKokkos(class LAMMPS *); - virtual ~PairHybridOverlayKokkos() {} - void coeff(int, char **); + void coeff(int, char **) override; }; } diff --git a/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h b/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h index 6bd1b8e61b..e041afda7f 100644 --- a/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h +++ b/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h @@ -37,14 +37,14 @@ class PairLJCharmmCoulCharmmImplicitKokkos : public PairLJCharmmCoulCharmmImplic typedef DeviceType device_type; typedef ArrayTypes AT; PairLJCharmmCoulCharmmImplicitKokkos(class LAMMPS *); - ~PairLJCharmmCoulCharmmImplicitKokkos(); + ~PairLJCharmmCoulCharmmImplicitKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_tables(double cut_coul, double *cut_respa); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_tables(double cut_coul, double *cut_respa) override; + void init_style() override; + double init_one(int, int) override; protected: @@ -108,7 +108,7 @@ class PairLJCharmmCoulCharmmImplicitKokkos : public PairLJCharmmCoulCharmmImplic double special_lj[4]; double qqrd2e; - void allocate(); + void allocate() override; friend struct PairComputeFunctor >; friend struct PairComputeFunctor >; diff --git a/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h b/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h index 4fc65d596e..bc14070a07 100644 --- a/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h +++ b/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h @@ -37,14 +37,14 @@ class PairLJCharmmCoulCharmmKokkos : public PairLJCharmmCoulCharmm { typedef DeviceType device_type; typedef ArrayTypes AT; PairLJCharmmCoulCharmmKokkos(class LAMMPS *); - ~PairLJCharmmCoulCharmmKokkos(); + ~PairLJCharmmCoulCharmmKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_tables(double cut_coul, double *cut_respa); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_tables(double cut_coul, double *cut_respa) override; + void init_style() override; + double init_one(int, int) override; protected: @@ -106,7 +106,7 @@ class PairLJCharmmCoulCharmmKokkos : public PairLJCharmmCoulCharmm { double special_lj[4]; double qqrd2e; - void allocate(); + void allocate() override; friend struct PairComputeFunctor >; friend struct PairComputeFunctor >; diff --git a/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h b/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h index 01d9b73a53..615a1ef9d0 100644 --- a/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h +++ b/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h @@ -37,13 +37,13 @@ class PairLJCharmmCoulLongKokkos : public PairLJCharmmCoulLong { typedef DeviceType device_type; typedef ArrayTypes AT; PairLJCharmmCoulLongKokkos(class LAMMPS *); - ~PairLJCharmmCoulLongKokkos(); + ~PairLJCharmmCoulLongKokkos() override; - void compute(int, int); + void compute(int, int) override; - void init_tables(double cut_coul, double *cut_respa); - void init_style(); - double init_one(int, int); + void init_tables(double cut_coul, double *cut_respa) override; + void init_style() override; + double init_one(int, int) override; protected: template @@ -104,7 +104,7 @@ class PairLJCharmmCoulLongKokkos : public PairLJCharmmCoulLong { double special_lj[4]; double qqrd2e; - void allocate(); + void allocate() override; friend struct PairComputeFunctor >; friend struct PairComputeFunctor >; diff --git a/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h b/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h index 78d3b0c96e..c1d098b912 100644 --- a/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h +++ b/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h @@ -37,13 +37,13 @@ class PairLJClass2CoulCutKokkos : public PairLJClass2CoulCut { typedef DeviceType device_type; typedef ArrayTypes AT; PairLJClass2CoulCutKokkos(class LAMMPS *); - ~PairLJClass2CoulCutKokkos(); + ~PairLJClass2CoulCutKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; protected: @@ -103,7 +103,7 @@ class PairLJClass2CoulCutKokkos : public PairLJClass2CoulCut { double special_lj[4]; double qqrd2e; - void allocate(); + void allocate() override; friend struct PairComputeFunctor; friend struct PairComputeFunctor; friend struct PairComputeFunctor; diff --git a/src/KOKKOS/pair_lj_class2_coul_long_kokkos.h b/src/KOKKOS/pair_lj_class2_coul_long_kokkos.h index 7f21ec61dd..c8aa009c55 100644 --- a/src/KOKKOS/pair_lj_class2_coul_long_kokkos.h +++ b/src/KOKKOS/pair_lj_class2_coul_long_kokkos.h @@ -37,14 +37,14 @@ class PairLJClass2CoulLongKokkos : public PairLJClass2CoulLong { typedef DeviceType device_type; typedef ArrayTypes AT; PairLJClass2CoulLongKokkos(class LAMMPS *); - ~PairLJClass2CoulLongKokkos(); + ~PairLJClass2CoulLongKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_tables(double cut_coul, double *cut_respa); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_tables(double cut_coul, double *cut_respa) override; + void init_style() override; + double init_one(int, int) override; protected: template @@ -106,7 +106,7 @@ class PairLJClass2CoulLongKokkos : public PairLJClass2CoulLong { double special_lj[4]; double qqrd2e; - void allocate(); + void allocate() override; friend struct PairComputeFunctor >; friend struct PairComputeFunctor >; friend struct PairComputeFunctor >; diff --git a/src/KOKKOS/pair_lj_class2_kokkos.h b/src/KOKKOS/pair_lj_class2_kokkos.h index cffaca174e..7e4438d5d6 100644 --- a/src/KOKKOS/pair_lj_class2_kokkos.h +++ b/src/KOKKOS/pair_lj_class2_kokkos.h @@ -37,13 +37,13 @@ class PairLJClass2Kokkos : public PairLJClass2 { typedef DeviceType device_type; typedef ArrayTypes AT; PairLJClass2Kokkos(class LAMMPS *); - ~PairLJClass2Kokkos(); + ~PairLJClass2Kokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; struct params_lj{ KOKKOS_INLINE_FUNCTION @@ -96,7 +96,7 @@ class PairLJClass2Kokkos : public PairLJClass2 { int neighflag; int nlocal,nall,eflag,vflag; - void allocate(); + void allocate() override; friend struct PairComputeFunctor; friend struct PairComputeFunctor; friend struct PairComputeFunctor; diff --git a/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h b/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h index 9e87daf9bb..68365d8b86 100644 --- a/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h +++ b/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h @@ -37,13 +37,13 @@ class PairLJCutCoulCutKokkos : public PairLJCutCoulCut { typedef DeviceType device_type; typedef ArrayTypes AT; PairLJCutCoulCutKokkos(class LAMMPS *); - ~PairLJCutCoulCutKokkos(); + ~PairLJCutCoulCutKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; protected: template @@ -103,7 +103,7 @@ class PairLJCutCoulCutKokkos : public PairLJCutCoulCut { double special_lj[4]; double qqrd2e; - void allocate(); + void allocate() override; friend struct PairComputeFunctor; friend struct PairComputeFunctor; friend struct PairComputeFunctor; diff --git a/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h b/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h index f93a70e9e3..c967601459 100644 --- a/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h +++ b/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h @@ -37,13 +37,13 @@ class PairLJCutCoulDebyeKokkos : public PairLJCutCoulDebye { typedef DeviceType device_type; typedef ArrayTypes AT; PairLJCutCoulDebyeKokkos(class LAMMPS *); - ~PairLJCutCoulDebyeKokkos(); + ~PairLJCutCoulDebyeKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; protected: template @@ -103,7 +103,7 @@ class PairLJCutCoulDebyeKokkos : public PairLJCutCoulDebye { double special_lj[4]; double qqrd2e; - void allocate(); + void allocate() override; friend struct PairComputeFunctor; friend struct PairComputeFunctor; friend struct PairComputeFunctor; diff --git a/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h b/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h index 96518e6d29..2fd7024e91 100644 --- a/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h +++ b/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h @@ -37,12 +37,12 @@ class PairLJCutCoulDSFKokkos : public PairLJCutCoulDSF { typedef DeviceType device_type; typedef ArrayTypes AT; PairLJCutCoulDSFKokkos(class LAMMPS *); - ~PairLJCutCoulDSFKokkos(); + ~PairLJCutCoulDSFKokkos() override; - void compute(int, int); + void compute(int, int) override; - void init_style(); - double init_one(int, int); + void init_style() override; + double init_one(int, int) override; protected: template @@ -100,7 +100,7 @@ class PairLJCutCoulDSFKokkos : public PairLJCutCoulDSF { double special_lj[4]; double qqrd2e; - void allocate(); + void allocate() override; friend struct PairComputeFunctor; friend struct PairComputeFunctor; friend struct PairComputeFunctor; diff --git a/src/KOKKOS/pair_lj_cut_coul_long_kokkos.h b/src/KOKKOS/pair_lj_cut_coul_long_kokkos.h index dee1e352b0..c3010a108d 100644 --- a/src/KOKKOS/pair_lj_cut_coul_long_kokkos.h +++ b/src/KOKKOS/pair_lj_cut_coul_long_kokkos.h @@ -37,14 +37,14 @@ class PairLJCutCoulLongKokkos : public PairLJCutCoulLong { typedef DeviceType device_type; typedef ArrayTypes AT; PairLJCutCoulLongKokkos(class LAMMPS *); - ~PairLJCutCoulLongKokkos(); + ~PairLJCutCoulLongKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_tables(double cut_coul, double *cut_respa); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_tables(double cut_coul, double *cut_respa) override; + void init_style() override; + double init_one(int, int) override; protected: template @@ -106,7 +106,7 @@ class PairLJCutCoulLongKokkos : public PairLJCutCoulLong { double special_lj[4]; double qqrd2e; - void allocate(); + void allocate() override; friend struct PairComputeFunctor >; friend struct PairComputeFunctor >; friend struct PairComputeFunctor >; diff --git a/src/KOKKOS/pair_lj_cut_kokkos.h b/src/KOKKOS/pair_lj_cut_kokkos.h index 28b6a33189..96e228011e 100644 --- a/src/KOKKOS/pair_lj_cut_kokkos.h +++ b/src/KOKKOS/pair_lj_cut_kokkos.h @@ -37,13 +37,13 @@ class PairLJCutKokkos : public PairLJCut { typedef DeviceType device_type; typedef ArrayTypes AT; PairLJCutKokkos(class LAMMPS *); - ~PairLJCutKokkos(); + ~PairLJCutKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; struct params_lj{ KOKKOS_INLINE_FUNCTION @@ -92,7 +92,7 @@ class PairLJCutKokkos : public PairLJCut { int neighflag; int nlocal,nall,eflag,vflag; - void allocate(); + void allocate() override; friend struct PairComputeFunctor; friend struct PairComputeFunctor; friend struct PairComputeFunctor; diff --git a/src/KOKKOS/pair_lj_expand_kokkos.h b/src/KOKKOS/pair_lj_expand_kokkos.h index 47941a9fa1..422ebd0a16 100644 --- a/src/KOKKOS/pair_lj_expand_kokkos.h +++ b/src/KOKKOS/pair_lj_expand_kokkos.h @@ -37,13 +37,13 @@ class PairLJExpandKokkos : public PairLJExpand { typedef DeviceType device_type; typedef ArrayTypes AT; PairLJExpandKokkos(class LAMMPS *); - ~PairLJExpandKokkos(); + ~PairLJExpandKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; struct params_lj{ KOKKOS_INLINE_FUNCTION @@ -97,7 +97,7 @@ class PairLJExpandKokkos : public PairLJExpand { int neighflag; int nlocal,nall,eflag,vflag; - void allocate(); + void allocate() override; friend struct PairComputeFunctor; friend struct PairComputeFunctor; friend struct PairComputeFunctor; diff --git a/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h b/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h index 760dfc6d4c..4d474159ed 100644 --- a/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h +++ b/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h @@ -37,14 +37,14 @@ class PairLJGromacsCoulGromacsKokkos : public PairLJGromacsCoulGromacs { typedef DeviceType device_type; typedef ArrayTypes AT; PairLJGromacsCoulGromacsKokkos(class LAMMPS *); - ~PairLJGromacsCoulGromacsKokkos(); + ~PairLJGromacsCoulGromacsKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_tables(double cut_coul, double *cut_respa); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_tables(double cut_coul, double *cut_respa) override; + void init_style() override; + double init_one(int, int) override; struct params_lj_coul_gromacs{ KOKKOS_INLINE_FUNCTION @@ -113,7 +113,7 @@ class PairLJGromacsCoulGromacsKokkos : public PairLJGromacsCoulGromacs { double special_lj[4]; double qqrd2e; - void allocate(); + void allocate() override; friend struct PairComputeFunctor >; friend struct PairComputeFunctor >; diff --git a/src/KOKKOS/pair_lj_gromacs_kokkos.h b/src/KOKKOS/pair_lj_gromacs_kokkos.h index a72bdf4b99..325931ba9c 100644 --- a/src/KOKKOS/pair_lj_gromacs_kokkos.h +++ b/src/KOKKOS/pair_lj_gromacs_kokkos.h @@ -37,13 +37,13 @@ class PairLJGromacsKokkos : public PairLJGromacs { typedef DeviceType device_type; typedef ArrayTypes AT; PairLJGromacsKokkos(class LAMMPS *); - ~PairLJGromacsKokkos(); + ~PairLJGromacsKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; struct params_lj{ KOKKOS_INLINE_FUNCTION @@ -113,7 +113,7 @@ class PairLJGromacsKokkos : public PairLJGromacs { double special_lj[4]; double qqrd2e; - void allocate(); + void allocate() override; friend struct PairComputeFunctor >; friend struct PairComputeFunctor >; diff --git a/src/KOKKOS/pair_lj_sdk_kokkos.h b/src/KOKKOS/pair_lj_sdk_kokkos.h index 5b8717c387..95fd80326d 100644 --- a/src/KOKKOS/pair_lj_sdk_kokkos.h +++ b/src/KOKKOS/pair_lj_sdk_kokkos.h @@ -37,13 +37,13 @@ class PairLJSDKKokkos : public PairLJSDK { typedef DeviceType device_type; typedef ArrayTypes AT; PairLJSDKKokkos(class LAMMPS *); - ~PairLJSDKKokkos(); + ~PairLJSDKKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; struct params_lj{ KOKKOS_INLINE_FUNCTION @@ -94,7 +94,7 @@ class PairLJSDKKokkos : public PairLJSDK { int neighflag; int nlocal,nall,eflag,vflag; - void allocate(); + void allocate() override; friend struct PairComputeFunctor; friend struct PairComputeFunctor; friend struct PairComputeFunctor; diff --git a/src/KOKKOS/pair_morse_kokkos.h b/src/KOKKOS/pair_morse_kokkos.h index f8f86d6127..32e057250b 100644 --- a/src/KOKKOS/pair_morse_kokkos.h +++ b/src/KOKKOS/pair_morse_kokkos.h @@ -36,13 +36,13 @@ class PairMorseKokkos : public PairMorse { enum {COUL_FLAG=0}; typedef DeviceType device_type; PairMorseKokkos(class LAMMPS *); - virtual ~PairMorseKokkos(); + ~PairMorseKokkos() override; - void compute(int, int); + void compute(int, int) override; - void settings(int, char **); - void init_style(); - double init_one(int, int); + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; struct params_morse{ KOKKOS_INLINE_FUNCTION @@ -92,7 +92,7 @@ class PairMorseKokkos : public PairMorse { int neighflag; int nlocal,nall,eflag,vflag; - void allocate(); + void allocate() override; friend struct PairComputeFunctor; friend struct PairComputeFunctor; friend struct PairComputeFunctor; diff --git a/src/KOKKOS/pair_multi_lucy_rx_kokkos.h b/src/KOKKOS/pair_multi_lucy_rx_kokkos.h index 1ce752a2ac..b6d0ebd767 100644 --- a/src/KOKKOS/pair_multi_lucy_rx_kokkos.h +++ b/src/KOKKOS/pair_multi_lucy_rx_kokkos.h @@ -52,22 +52,22 @@ class PairMultiLucyRXKokkos : public PairMultiLucyRX, public KokkosBase { typedef EV_FLOAT value_type; PairMultiLucyRXKokkos(class LAMMPS *); - virtual ~PairMultiLucyRXKokkos(); + ~PairMultiLucyRXKokkos() override; - void compute(int, int); - void settings(int, char **); + void compute(int, int) override; + void settings(int, char **) override; template void compute_style(int, int); - void init_style(); + void init_style() override; int pack_forward_comm_kokkos(int, DAT::tdual_int_2d, int, DAT::tdual_xfloat_1d&, - int, int *); - void unpack_forward_comm_kokkos(int, int, DAT::tdual_xfloat_1d&); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); + int, int *) override; + void unpack_forward_comm_kokkos(int, int, DAT::tdual_xfloat_1d&) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; void computeLocalDensity(); KOKKOS_INLINE_FUNCTION @@ -150,7 +150,7 @@ class PairMultiLucyRXKokkos : public PairMultiLucyRX, public KokkosBase { F_FLOAT m_cutsq[MAX_TYPES_STACKPARAMS+1][MAX_TYPES_STACKPARAMS+1]; - void allocate(); + void allocate() override; int update_table; void create_kokkos_tables(); diff --git a/src/KOKKOS/pair_snap_kokkos.h b/src/KOKKOS/pair_snap_kokkos.h index e7af536782..b728d92f96 100644 --- a/src/KOKKOS/pair_snap_kokkos.h +++ b/src/KOKKOS/pair_snap_kokkos.h @@ -124,13 +124,13 @@ public: using SnapAoSoATeamPolicy = typename Kokkos::TeamPolicy, TagPairSNAP>; PairSNAPKokkos(class LAMMPS *); - ~PairSNAPKokkos(); + ~PairSNAPKokkos() override; - void coeff(int, char**); - void init_style(); - double init_one(int, int); - void compute(int, int); - double memory_usage(); + void coeff(int, char**) override; + void init_style() override; + double init_one(int, int) override; + void compute(int, int) override; + double memory_usage() override; template void check_team_size_for(int, int&); @@ -249,7 +249,7 @@ protected: int eflag,vflag; - void allocate(); + void allocate() override; //void read_files(char *, char *); /*template inline int equal(double* x,double* y); @@ -326,11 +326,11 @@ public: PairSNAPKokkosDevice(class LAMMPS *); - void coeff(int, char**); - void init_style(); - double init_one(int, int); - void compute(int, int); - double memory_usage(); + void coeff(int, char**) override; + void init_style() override; + double init_one(int, int) override; + void compute(int, int) override; + double memory_usage() override; }; diff --git a/src/KOKKOS/pair_sw_kokkos.h b/src/KOKKOS/pair_sw_kokkos.h index 2192740674..3513a8d621 100644 --- a/src/KOKKOS/pair_sw_kokkos.h +++ b/src/KOKKOS/pair_sw_kokkos.h @@ -49,10 +49,10 @@ class PairSWKokkos : public PairSW { typedef EV_FLOAT value_type; PairSWKokkos(class LAMMPS *); - virtual ~PairSWKokkos(); - virtual void compute(int, int); - virtual void coeff(int, char **); - virtual void init_style(); + ~PairSWKokkos() override; + void compute(int, int) override; + void coeff(int, char **) override; + void init_style() override; template KOKKOS_INLINE_FUNCTION @@ -112,7 +112,7 @@ class PairSWKokkos : public PairSW { t_param_1d d_params; - virtual void setup_params(); + void setup_params() override; KOKKOS_INLINE_FUNCTION void twobody(const Param&, const F_FLOAT&, F_FLOAT&, const int&, F_FLOAT&) const; diff --git a/src/KOKKOS/pair_table_kokkos.h b/src/KOKKOS/pair_table_kokkos.h index accc763cc5..6574ce807f 100644 --- a/src/KOKKOS/pair_table_kokkos.h +++ b/src/KOKKOS/pair_table_kokkos.h @@ -48,17 +48,17 @@ class PairTableKokkos : public PairTable { typedef ArrayTypes AT; PairTableKokkos(class LAMMPS *); - virtual ~PairTableKokkos(); + ~PairTableKokkos() override; - virtual void compute(int, int); + void compute(int, int) override; template void compute_style(int, int); - void settings(int, char **); - double init_one(int, int); + void settings(int, char **) override; + double init_one(int, int) override; - void init_style(); + void init_style() override; protected: @@ -103,8 +103,8 @@ class PairTableKokkos : public PairTable { typename AT::t_ffloat_2d d_cutsq; - virtual void allocate(); - void compute_table(Table *); + void allocate() override; + void compute_table(Table *) override; typename AT::t_x_array_randomread x; typename AT::t_x_array_const c_x; diff --git a/src/KOKKOS/pair_table_rx_kokkos.h b/src/KOKKOS/pair_table_rx_kokkos.h index e8203445ca..16915eaae0 100644 --- a/src/KOKKOS/pair_table_rx_kokkos.h +++ b/src/KOKKOS/pair_table_rx_kokkos.h @@ -35,19 +35,19 @@ class PairTableRXKokkos : public PairTable { typedef DeviceType device_type; PairTableRXKokkos(class LAMMPS *); - virtual ~PairTableRXKokkos(); + ~PairTableRXKokkos() override; - virtual void compute(int, int); + void compute(int, int) override; template void compute_style(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - virtual double single(int, int, int, int, double, double, double, double &); + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; - void init_style(); + void init_style() override; struct TableDeviceConst { typename ArrayTypes::t_ffloat_2d cutsq; @@ -81,8 +81,8 @@ class PairTableRXKokkos : public PairTable { typename ArrayTypes::t_ffloat_2d d_cutsq; - virtual void allocate(); - void compute_table(Table *); + void allocate() override; + void compute_table(Table *) override; typename ArrayTypes::t_x_array_randomread x; typename ArrayTypes::t_f_array f; diff --git a/src/KOKKOS/pair_tersoff_kokkos.h b/src/KOKKOS/pair_tersoff_kokkos.h index e61791df39..77da7bad4b 100644 --- a/src/KOKKOS/pair_tersoff_kokkos.h +++ b/src/KOKKOS/pair_tersoff_kokkos.h @@ -50,9 +50,9 @@ class PairTersoffKokkos : public PairTersoff { typedef EV_FLOAT value_type; PairTersoffKokkos(class LAMMPS *); - virtual ~PairTersoffKokkos(); - virtual void compute(int, int); - void init_style(); + ~PairTersoffKokkos() override; + void compute(int, int) override; + void init_style() override; template KOKKOS_INLINE_FUNCTION @@ -177,8 +177,8 @@ class PairTersoffKokkos : public PairTersoff { void v_tally3_atom(EV_FLOAT &ev, const int &i, const int &j, const int &k, F_FLOAT *fj, F_FLOAT *fk, F_FLOAT *drji, F_FLOAT *drjk) const; - void allocate(); - void setup_params(); + void allocate() override; + void setup_params() override; protected: typedef Kokkos::DualView tdual_int_3d; diff --git a/src/KOKKOS/pair_tersoff_mod_kokkos.h b/src/KOKKOS/pair_tersoff_mod_kokkos.h index ee589c62cd..ffc8e24ed3 100644 --- a/src/KOKKOS/pair_tersoff_mod_kokkos.h +++ b/src/KOKKOS/pair_tersoff_mod_kokkos.h @@ -50,9 +50,9 @@ class PairTersoffMODKokkos : public PairTersoffMOD { typedef EV_FLOAT value_type; PairTersoffMODKokkos(class LAMMPS *); - virtual ~PairTersoffMODKokkos(); - virtual void compute(int, int); - void init_style(); + ~PairTersoffMODKokkos() override; + void compute(int, int) override; + void init_style() override; template KOKKOS_INLINE_FUNCTION @@ -177,8 +177,8 @@ class PairTersoffMODKokkos : public PairTersoffMOD { void v_tally3_atom(EV_FLOAT &ev, const int &i, const int &j, const int &k, F_FLOAT *fj, F_FLOAT *fk, F_FLOAT *drji, F_FLOAT *drjk) const; - void allocate(); - void setup_params(); + void allocate() override; + void setup_params() override; protected: typedef Kokkos::DualView tdual_int_3d; diff --git a/src/KOKKOS/pair_tersoff_zbl_kokkos.h b/src/KOKKOS/pair_tersoff_zbl_kokkos.h index 718932026d..9c52c1b2f9 100644 --- a/src/KOKKOS/pair_tersoff_zbl_kokkos.h +++ b/src/KOKKOS/pair_tersoff_zbl_kokkos.h @@ -50,9 +50,9 @@ class PairTersoffZBLKokkos : public PairTersoffZBL { typedef EV_FLOAT value_type; PairTersoffZBLKokkos(class LAMMPS *); - virtual ~PairTersoffZBLKokkos(); - virtual void compute(int, int); - void init_style(); + ~PairTersoffZBLKokkos() override; + void compute(int, int) override; + void init_style() override; template KOKKOS_INLINE_FUNCTION @@ -176,8 +176,8 @@ class PairTersoffZBLKokkos : public PairTersoffZBL { void v_tally3_atom(EV_FLOAT &ev, const int &i, const int &j, const int &k, F_FLOAT *fj, F_FLOAT *fk, F_FLOAT *drji, F_FLOAT *drjk) const; - void allocate(); - void setup_params(); + void allocate() override; + void setup_params() override; KOKKOS_INLINE_FUNCTION double fermi_k(const int &i, const int &j, const int &k, const F_FLOAT &r) const; diff --git a/src/KOKKOS/pair_vashishta_kokkos.h b/src/KOKKOS/pair_vashishta_kokkos.h index e7be57a3b6..e9f9a426c7 100644 --- a/src/KOKKOS/pair_vashishta_kokkos.h +++ b/src/KOKKOS/pair_vashishta_kokkos.h @@ -49,10 +49,10 @@ class PairVashishtaKokkos : public PairVashishta { typedef EV_FLOAT value_type; PairVashishtaKokkos(class LAMMPS *); - virtual ~PairVashishtaKokkos(); - virtual void compute(int, int); - virtual void coeff(int, char **); - virtual void init_style(); + ~PairVashishtaKokkos() override; + void compute(int, int) override; + void coeff(int, char **) override; + void init_style() override; template KOKKOS_INLINE_FUNCTION @@ -112,7 +112,7 @@ class PairVashishtaKokkos : public PairVashishta { t_param_1d d_params; - virtual void setup_params(); + void setup_params() override; KOKKOS_INLINE_FUNCTION void twobody(const Param&, const F_FLOAT&, F_FLOAT&, const int&, F_FLOAT&) const; diff --git a/src/KOKKOS/pair_yukawa_kokkos.h b/src/KOKKOS/pair_yukawa_kokkos.h index 454c9a5eb7..1671a06f14 100644 --- a/src/KOKKOS/pair_yukawa_kokkos.h +++ b/src/KOKKOS/pair_yukawa_kokkos.h @@ -38,11 +38,11 @@ class PairYukawaKokkos : public PairYukawa { typedef ArrayTypes AT; PairYukawaKokkos(class LAMMPS *); - virtual ~PairYukawaKokkos(); + ~PairYukawaKokkos() override; - void compute(int, int); - void init_style(); - double init_one(int,int); + void compute(int, int) override; + void init_style() override; + double init_one(int,int) override; struct params_yukawa { KOKKOS_INLINE_FUNCTION @@ -95,7 +95,7 @@ class PairYukawaKokkos : public PairYukawa { int neighflag; int nlocal,nall,eflag,vflag; - void allocate(); + void allocate() override; friend struct PairComputeFunctor; friend struct PairComputeFunctor; friend struct PairComputeFunctor; diff --git a/src/KOKKOS/pair_zbl_kokkos.h b/src/KOKKOS/pair_zbl_kokkos.h index ac8f150b7c..507df93fba 100644 --- a/src/KOKKOS/pair_zbl_kokkos.h +++ b/src/KOKKOS/pair_zbl_kokkos.h @@ -38,10 +38,10 @@ class PairZBLKokkos : public PairZBL { typedef ArrayTypes AT; PairZBLKokkos(class LAMMPS *); - virtual ~PairZBLKokkos(); - void compute(int, int); - void init_style(); - F_FLOAT init_one(int, int); + ~PairZBLKokkos() override; + void compute(int, int) override; + void init_style() override; + F_FLOAT init_one(int, int) override; private: DAT::tdual_ffloat_1d k_z; @@ -87,7 +87,7 @@ class PairZBLKokkos : public PairZBL { F_FLOAT compute_ecoul(const F_FLOAT& /*rsq*/, const int& /*i*/, const int& /*j*/, const int& /*itype*/, const int& /*jtype*/) const { return 0; } - void allocate(); + void allocate() override; friend struct PairComputeFunctor; friend struct PairComputeFunctor; diff --git a/src/KSPACE/pair_born_coul_long.h b/src/KSPACE/pair_born_coul_long.h index 11dd84c202..f7f8b5db3e 100644 --- a/src/KSPACE/pair_born_coul_long.h +++ b/src/KSPACE/pair_born_coul_long.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairBornCoulLong : public Pair { public: PairBornCoulLong(class LAMMPS *); - virtual ~PairBornCoulLong(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + ~PairBornCoulLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_lj_global; diff --git a/src/KSPACE/pair_born_coul_msm.h b/src/KSPACE/pair_born_coul_msm.h index c5a2255bcd..8338286a65 100644 --- a/src/KSPACE/pair_born_coul_msm.h +++ b/src/KSPACE/pair_born_coul_msm.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class PairBornCoulMSM : public PairBornCoulLong { public: PairBornCoulMSM(class LAMMPS *); - virtual ~PairBornCoulMSM(); - virtual void compute(int, int); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + ~PairBornCoulMSM() override; + void compute(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: int nmax; diff --git a/src/KSPACE/pair_buck_coul_long.h b/src/KSPACE/pair_buck_coul_long.h index 89a23558ae..62d2619d09 100644 --- a/src/KSPACE/pair_buck_coul_long.h +++ b/src/KSPACE/pair_buck_coul_long.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairBuckCoulLong : public Pair { public: PairBuckCoulLong(class LAMMPS *); - virtual ~PairBuckCoulLong(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + ~PairBuckCoulLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_lj_global; diff --git a/src/KSPACE/pair_buck_coul_msm.h b/src/KSPACE/pair_buck_coul_msm.h index ee52d2235b..006c9032c0 100644 --- a/src/KSPACE/pair_buck_coul_msm.h +++ b/src/KSPACE/pair_buck_coul_msm.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class PairBuckCoulMSM : public PairBuckCoulLong { public: PairBuckCoulMSM(class LAMMPS *); - virtual ~PairBuckCoulMSM(); - virtual void compute(int, int); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + ~PairBuckCoulMSM() override; + void compute(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: int nmax; diff --git a/src/KSPACE/pair_buck_long_coul_long.h b/src/KSPACE/pair_buck_long_coul_long.h index 1dab289c20..3bb1723b3d 100644 --- a/src/KSPACE/pair_buck_long_coul_long.h +++ b/src/KSPACE/pair_buck_long_coul_long.h @@ -29,25 +29,25 @@ class PairBuckLongCoulLong : public Pair { double cut_coul; PairBuckLongCoulLong(class LAMMPS *); - ~PairBuckLongCoulLong(); - virtual void compute(int, int); + ~PairBuckLongCoulLong() override; + void compute(int, int) override; - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; - virtual void compute_inner(); - virtual void compute_middle(); - virtual void compute_outer(int, int); + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; protected: double cut_buck_global; diff --git a/src/KSPACE/pair_coul_long.h b/src/KSPACE/pair_coul_long.h index e553c8cb56..b196c5c662 100644 --- a/src/KSPACE/pair_coul_long.h +++ b/src/KSPACE/pair_coul_long.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairCoulLong : public Pair { public: PairCoulLong(class LAMMPS *); - ~PairCoulLong(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + ~PairCoulLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_coul, cut_coulsq, qdist; diff --git a/src/KSPACE/pair_coul_msm.h b/src/KSPACE/pair_coul_msm.h index d52830183a..734c852f65 100644 --- a/src/KSPACE/pair_coul_msm.h +++ b/src/KSPACE/pair_coul_msm.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class PairCoulMSM : public PairCoulLong { public: PairCoulMSM(class LAMMPS *); - virtual ~PairCoulMSM(){}; - virtual void compute(int, int); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + + void compute(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; }; } // namespace LAMMPS_NS diff --git a/src/KSPACE/pair_coul_streitz.h b/src/KSPACE/pair_coul_streitz.h index 011c4a6b7a..6d5036e83c 100644 --- a/src/KSPACE/pair_coul_streitz.h +++ b/src/KSPACE/pair_coul_streitz.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class PairCoulStreitz : public Pair { public: PairCoulStreitz(class LAMMPS *); - virtual ~PairCoulStreitz(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - double memory_usage(); - virtual void *extract(const char *, int &); + ~PairCoulStreitz() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + double memory_usage() override; + void *extract(const char *, int &) override; static constexpr int NPARAMS_PER_LINE = 6; diff --git a/src/KSPACE/pair_lj_charmm_coul_long.h b/src/KSPACE/pair_lj_charmm_coul_long.h index 6925a635bf..463e537f56 100644 --- a/src/KSPACE/pair_lj_charmm_coul_long.h +++ b/src/KSPACE/pair_lj_charmm_coul_long.h @@ -27,25 +27,25 @@ namespace LAMMPS_NS { class PairLJCharmmCoulLong : public Pair { public: PairLJCharmmCoulLong(class LAMMPS *); - virtual ~PairLJCharmmCoulLong(); + ~PairLJCharmmCoulLong() override; - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; - void compute_inner(); - void compute_middle(); - virtual void compute_outer(int, int); - virtual void *extract(const char *, int &); + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; + void *extract(const char *, int &) override; protected: int implicit; diff --git a/src/KSPACE/pair_lj_charmm_coul_msm.h b/src/KSPACE/pair_lj_charmm_coul_msm.h index 90425c4daf..d90f58aa7e 100644 --- a/src/KSPACE/pair_lj_charmm_coul_msm.h +++ b/src/KSPACE/pair_lj_charmm_coul_msm.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJCharmmCoulMSM : public PairLJCharmmCoulLong { public: PairLJCharmmCoulMSM(class LAMMPS *); - virtual ~PairLJCharmmCoulMSM(); - virtual void compute(int, int); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void compute_outer(int, int); - virtual void *extract(const char *, int &); + ~PairLJCharmmCoulMSM() override; + void compute(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; + void compute_outer(int, int) override; + void *extract(const char *, int &) override; protected: int nmax; diff --git a/src/KSPACE/pair_lj_charmmfsw_coul_long.h b/src/KSPACE/pair_lj_charmmfsw_coul_long.h index e254092c43..dd72027334 100644 --- a/src/KSPACE/pair_lj_charmmfsw_coul_long.h +++ b/src/KSPACE/pair_lj_charmmfsw_coul_long.h @@ -27,25 +27,25 @@ namespace LAMMPS_NS { class PairLJCharmmfswCoulLong : public Pair { public: PairLJCharmmfswCoulLong(class LAMMPS *); - virtual ~PairLJCharmmfswCoulLong(); + ~PairLJCharmmfswCoulLong() override; - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; - void compute_inner(); - void compute_middle(); - virtual void compute_outer(int, int); - virtual void *extract(const char *, int &); + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; + void *extract(const char *, int &) override; protected: int implicit; diff --git a/src/KSPACE/pair_lj_cut_coul_long.h b/src/KSPACE/pair_lj_cut_coul_long.h index 23d8d26f93..d5e3e6f7e0 100644 --- a/src/KSPACE/pair_lj_cut_coul_long.h +++ b/src/KSPACE/pair_lj_cut_coul_long.h @@ -28,24 +28,24 @@ class PairLJCutCoulLong : public Pair { public: PairLJCutCoulLong(class LAMMPS *); - virtual ~PairLJCutCoulLong(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); + ~PairLJCutCoulLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; - void compute_inner(); - void compute_middle(); - virtual void compute_outer(int, int); - virtual void *extract(const char *, int &); + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; + void *extract(const char *, int &) override; protected: double cut_lj_global; diff --git a/src/KSPACE/pair_lj_cut_coul_msm.h b/src/KSPACE/pair_lj_cut_coul_msm.h index c84fc5688c..2b5b7e1a85 100644 --- a/src/KSPACE/pair_lj_cut_coul_msm.h +++ b/src/KSPACE/pair_lj_cut_coul_msm.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairLJCutCoulMSM : public PairLJCutCoulLong { public: PairLJCutCoulMSM(class LAMMPS *); - virtual ~PairLJCutCoulMSM(); - virtual void compute(int, int); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void compute_outer(int, int); - virtual void *extract(const char *, int &); + ~PairLJCutCoulMSM() override; + void compute(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; + void compute_outer(int, int) override; + void *extract(const char *, int &) override; protected: int nmax; diff --git a/src/KSPACE/pair_lj_cut_tip4p_long.h b/src/KSPACE/pair_lj_cut_tip4p_long.h index 20066e71e2..091cd42ab5 100644 --- a/src/KSPACE/pair_lj_cut_tip4p_long.h +++ b/src/KSPACE/pair_lj_cut_tip4p_long.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class PairLJCutTIP4PLong : public PairLJCutCoulLong { public: PairLJCutTIP4PLong(class LAMMPS *); - ~PairLJCutTIP4PLong(); - virtual void compute(int, int); - void settings(int, char **); - void init_style(); - double init_one(int, int); - void write_restart_settings(FILE *fp); - void read_restart_settings(FILE *fp); - void *extract(const char *, int &); - double memory_usage(); + ~PairLJCutTIP4PLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart_settings(FILE *fp) override; + void read_restart_settings(FILE *fp) override; + void *extract(const char *, int &) override; + double memory_usage() override; protected: int typeH, typeO; // atom types of TIP4P water H and O atoms diff --git a/src/KSPACE/pair_lj_long_coul_long.h b/src/KSPACE/pair_lj_long_coul_long.h index 926c098052..5b66a949a9 100644 --- a/src/KSPACE/pair_lj_long_coul_long.h +++ b/src/KSPACE/pair_lj_long_coul_long.h @@ -29,24 +29,24 @@ class PairLJLongCoulLong : public Pair { double cut_coul; PairLJLongCoulLong(class LAMMPS *); - virtual ~PairLJLongCoulLong(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairLJLongCoulLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; - virtual void compute_inner(); - virtual void compute_middle(); - virtual void compute_outer(int, int); + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; protected: double cut_lj_global; diff --git a/src/KSPACE/pair_lj_long_tip4p_long.h b/src/KSPACE/pair_lj_long_tip4p_long.h index 15150a4e23..c8e0265c41 100644 --- a/src/KSPACE/pair_lj_long_tip4p_long.h +++ b/src/KSPACE/pair_lj_long_tip4p_long.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairLJLongTIP4PLong : public PairLJLongCoulLong { public: PairLJLongTIP4PLong(class LAMMPS *); - ~PairLJLongTIP4PLong(); - virtual void compute(int, int); - virtual void compute_inner(); - virtual void compute_middle(); - virtual void compute_outer(int, int); - void settings(int, char **); - void init_style(); - double init_one(int, int); - void write_restart_settings(FILE *fp); - void read_restart_settings(FILE *fp); - void *extract(const char *, int &); - double memory_usage(); + ~PairLJLongTIP4PLong() override; + void compute(int, int) override; + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart_settings(FILE *fp) override; + void read_restart_settings(FILE *fp) override; + void *extract(const char *, int &) override; + double memory_usage() override; protected: int typeH, typeO; // atom types of TIP4P water H and O atoms diff --git a/src/KSPACE/pair_tip4p_long.h b/src/KSPACE/pair_tip4p_long.h index c4a2e0b623..8272ec8428 100644 --- a/src/KSPACE/pair_tip4p_long.h +++ b/src/KSPACE/pair_tip4p_long.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class PairTIP4PLong : public PairCoulLong { public: PairTIP4PLong(class LAMMPS *); - ~PairTIP4PLong(); - virtual void compute(int, int); - void settings(int, char **); - void init_style(); - double init_one(int, int); - void write_restart_settings(FILE *fp); - void read_restart_settings(FILE *fp); - void *extract(const char *, int &); - double memory_usage(); + ~PairTIP4PLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart_settings(FILE *fp) override; + void read_restart_settings(FILE *fp) override; + void *extract(const char *, int &) override; + double memory_usage() override; protected: int typeH, typeO; // atom types of TIP4P water H and O atoms diff --git a/src/KSPACE/pppm_disp_tip4p.h b/src/KSPACE/pppm_disp_tip4p.h index fcb5f5ef81..dbc3fb98aa 100644 --- a/src/KSPACE/pppm_disp_tip4p.h +++ b/src/KSPACE/pppm_disp_tip4p.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class PPPMDispTIP4P : public PPPMDisp { public: PPPMDispTIP4P(class LAMMPS *); - ~PPPMDispTIP4P() override{}; + void init() override; protected: diff --git a/src/MACHDYN/pair_smd_hertz.h b/src/MACHDYN/pair_smd_hertz.h index b736764de3..75bcfa9dca 100644 --- a/src/MACHDYN/pair_smd_hertz.h +++ b/src/MACHDYN/pair_smd_hertz.h @@ -38,15 +38,15 @@ namespace LAMMPS_NS { class PairHertz : public Pair { public: PairHertz(class LAMMPS *); - virtual ~PairHertz(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void init_style(); - void init_list(int, class NeighList *); - virtual double memory_usage(); - void *extract(const char *, int &); + ~PairHertz() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void init_style() override; + void init_list(int, class NeighList *) override; + double memory_usage() override; + void *extract(const char *, int &) override; protected: double **bulkmodulus; diff --git a/src/MANYBODY/pair_adp.h b/src/MANYBODY/pair_adp.h index 3740b214ed..06db6ed5a3 100644 --- a/src/MANYBODY/pair_adp.h +++ b/src/MANYBODY/pair_adp.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairADP : public Pair { public: PairADP(class LAMMPS *); - virtual ~PairADP(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); + ~PairADP() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - double memory_usage(); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + double memory_usage() override; protected: int nmax; // allocated size of per-atom arrays diff --git a/src/MANYBODY/pair_airebo.h b/src/MANYBODY/pair_airebo.h index fc511b7bb0..2063cf75c1 100644 --- a/src/MANYBODY/pair_airebo.h +++ b/src/MANYBODY/pair_airebo.h @@ -29,13 +29,13 @@ namespace LAMMPS_NS { class PairAIREBO : public Pair { public: PairAIREBO(class LAMMPS *); - virtual ~PairAIREBO(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - double memory_usage(); + ~PairAIREBO() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + double memory_usage() override; enum { AIREBO, REBO_2, AIREBO_M }; // for telling class variants apart in shared code diff --git a/src/MANYBODY/pair_airebo_morse.h b/src/MANYBODY/pair_airebo_morse.h index fe2e61440a..d5662d8aa4 100644 --- a/src/MANYBODY/pair_airebo_morse.h +++ b/src/MANYBODY/pair_airebo_morse.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class PairAIREBOMorse : public PairAIREBO { public: PairAIREBOMorse(class LAMMPS *); - void settings(int, char **); + void settings(int, char **) override; }; } // namespace LAMMPS_NS diff --git a/src/MANYBODY/pair_atm.h b/src/MANYBODY/pair_atm.h index 8370e08aec..20836751b6 100644 --- a/src/MANYBODY/pair_atm.h +++ b/src/MANYBODY/pair_atm.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class PairATM : public Pair { public: PairATM(class LAMMPS *); - virtual ~PairATM(); - virtual void compute(int, int); - void settings(int, char **); - virtual void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); + ~PairATM() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; protected: double cut_global, cut_triple; diff --git a/src/MANYBODY/pair_bop.h b/src/MANYBODY/pair_bop.h index 53ad7ceace..baffe74846 100644 --- a/src/MANYBODY/pair_bop.h +++ b/src/MANYBODY/pair_bop.h @@ -34,13 +34,13 @@ class PairBOP : public Pair { public: PairBOP(class LAMMPS *); - virtual ~PairBOP(); - void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - double memory_usage(); + ~PairBOP() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + double memory_usage() override; private: struct PairParameters { diff --git a/src/MANYBODY/pair_comb.h b/src/MANYBODY/pair_comb.h index 580a737b9a..6a456f6eb0 100644 --- a/src/MANYBODY/pair_comb.h +++ b/src/MANYBODY/pair_comb.h @@ -27,13 +27,13 @@ namespace LAMMPS_NS { class PairComb : public Pair { public: PairComb(class LAMMPS *); - virtual ~PairComb(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - double memory_usage(); + ~PairComb() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + double memory_usage() override; virtual double yasu_char(double *, int &); double enegtot; @@ -137,10 +137,10 @@ class PairComb : public Pair { void qfo_field(Param *, double, double, double, double &, double &); void qsolve(double *); void Over_cor(Param *, double, int, double &, double &); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; void Short_neigh(); }; diff --git a/src/MANYBODY/pair_comb3.h b/src/MANYBODY/pair_comb3.h index 946b6c5b0e..f7a8f1abac 100644 --- a/src/MANYBODY/pair_comb3.h +++ b/src/MANYBODY/pair_comb3.h @@ -27,13 +27,13 @@ namespace LAMMPS_NS { class PairComb3 : public Pair { public: PairComb3(class LAMMPS *); - virtual ~PairComb3(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - double memory_usage(); + ~PairComb3() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + double memory_usage() override; virtual double combqeq(double *, int &); double enegtot; @@ -221,10 +221,10 @@ class PairComb3 : public Pair { double, double, double, double, int, int, double &, double &, double *); // communication functions - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; }; } // namespace LAMMPS_NS diff --git a/src/MANYBODY/pair_eam.h b/src/MANYBODY/pair_eam.h index 2b206689d6..a3f5708273 100644 --- a/src/MANYBODY/pair_eam.h +++ b/src/MANYBODY/pair_eam.h @@ -45,21 +45,21 @@ class PairEAM : public Pair { double ***rhor_spline, ***frho_spline, ***z2r_spline; PairEAM(class LAMMPS *); - virtual ~PairEAM(); - virtual void compute(int, int); - void settings(int, char **); - virtual void coeff(int, char **); - void init_style(); - double init_one(int, int); - double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + ~PairEAM() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; - virtual int pack_forward_comm(int, int *, double *, int, int *); - virtual void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - double memory_usage(); - void swap_eam(double *, double **); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + double memory_usage() override; + void swap_eam(double *, double **) override; protected: int nmax; // allocated size of per-atom arrays diff --git a/src/MANYBODY/pair_eam_alloy.h b/src/MANYBODY/pair_eam_alloy.h index d3b7880a4d..b8d53aac00 100644 --- a/src/MANYBODY/pair_eam_alloy.h +++ b/src/MANYBODY/pair_eam_alloy.h @@ -29,12 +29,11 @@ namespace LAMMPS_NS { class PairEAMAlloy : virtual public PairEAM { public: PairEAMAlloy(class LAMMPS *); - virtual ~PairEAMAlloy() {} - void coeff(int, char **); + void coeff(int, char **) override; protected: - void read_file(char *); - void file2array(); + void read_file(char *) override; + void file2array() override; }; } // namespace LAMMPS_NS diff --git a/src/MANYBODY/pair_eam_cd.h b/src/MANYBODY/pair_eam_cd.h index 6846a6cd76..f7967d7fb6 100644 --- a/src/MANYBODY/pair_eam_cd.h +++ b/src/MANYBODY/pair_eam_cd.h @@ -31,24 +31,24 @@ class PairEAMCD : public PairEAMAlloy { PairEAMCD(class LAMMPS *, int cdeamVersion); /// Destructor. - virtual ~PairEAMCD(); + ~PairEAMCD() override; /// Calculates the energies and forces for all atoms in the system. - virtual void compute(int, int); + void compute(int, int) override; /// Parses the pair_coeff command parameters for this pair style. - void coeff(int, char **); + void coeff(int, char **) override; /// This is for MPI communication with neighbor nodes. - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; /// Reports the memory usage of this pair style to LAMMPS. - double memory_usage(); + double memory_usage() override; - void *extract(const char *, int &) { return nullptr; } + void *extract(const char *, int &) override { return nullptr; } /// Parses the coefficients of the h polynomial from the end of the EAM file. void read_h_coeff(char *filename); diff --git a/src/MANYBODY/pair_eam_fs.h b/src/MANYBODY/pair_eam_fs.h index 7683b92bc3..6b6fcb1905 100644 --- a/src/MANYBODY/pair_eam_fs.h +++ b/src/MANYBODY/pair_eam_fs.h @@ -29,12 +29,12 @@ namespace LAMMPS_NS { class PairEAMFS : virtual public PairEAM { public: PairEAMFS(class LAMMPS *); - virtual ~PairEAMFS() {} - void coeff(int, char **); + + void coeff(int, char **) override; protected: - void read_file(char *); - void file2array(); + void read_file(char *) override; + void file2array() override; int he_flag; }; diff --git a/src/MANYBODY/pair_eam_he.h b/src/MANYBODY/pair_eam_he.h index eaa86d8e8f..38f7fc3dbd 100644 --- a/src/MANYBODY/pair_eam_he.h +++ b/src/MANYBODY/pair_eam_he.h @@ -27,10 +27,9 @@ namespace LAMMPS_NS { class PairEAMHE : public PairEAMFS { public: PairEAMHE(class LAMMPS *); - virtual ~PairEAMHE() {} protected: - void compute(int, int); + void compute(int, int) override; }; } // namespace LAMMPS_NS diff --git a/src/MANYBODY/pair_edip.h b/src/MANYBODY/pair_edip.h index 5812768d55..d27eeb7768 100644 --- a/src/MANYBODY/pair_edip.h +++ b/src/MANYBODY/pair_edip.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairEDIP : public Pair { public: PairEDIP(class LAMMPS *); - virtual ~PairEDIP(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void init_style(); + ~PairEDIP() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void init_style() override; protected: struct Param { diff --git a/src/MANYBODY/pair_edip_multi.h b/src/MANYBODY/pair_edip_multi.h index 3ee7347a56..cf51af0d4e 100644 --- a/src/MANYBODY/pair_edip_multi.h +++ b/src/MANYBODY/pair_edip_multi.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairEDIPMulti : public Pair { public: PairEDIPMulti(class LAMMPS *); - virtual ~PairEDIPMulti(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void init_style(); + ~PairEDIPMulti() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void init_style() override; protected: struct Param { @@ -61,7 +61,7 @@ class PairEDIPMulti : public Pair { void deallocatePreLoops(); void read_file(char *); - void setup(); + void setup() override; void edip_pair(double, double, Param *, double &, double &, double &); void edip_fc(double, Param *, double &, double &); diff --git a/src/MANYBODY/pair_eim.h b/src/MANYBODY/pair_eim.h index 7602474cb4..7c4931b7cf 100644 --- a/src/MANYBODY/pair_eim.h +++ b/src/MANYBODY/pair_eim.h @@ -30,18 +30,18 @@ namespace LAMMPS_NS { class PairEIM : public Pair { public: PairEIM(class LAMMPS *); - virtual ~PairEIM(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); + ~PairEIM() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - double memory_usage(); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + double memory_usage() override; struct Setfl { double division, rbig, rsmall; diff --git a/src/MANYBODY/pair_extep.h b/src/MANYBODY/pair_extep.h index 6b1c925226..b17fda6b7e 100644 --- a/src/MANYBODY/pair_extep.h +++ b/src/MANYBODY/pair_extep.h @@ -30,12 +30,12 @@ namespace LAMMPS_NS { class PairExTeP : public Pair { public: PairExTeP(class LAMMPS *); - virtual ~PairExTeP(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); + ~PairExTeP() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; protected: struct Param { @@ -70,7 +70,7 @@ class PairExTeP : public Pair { void allocate(); void spline_init(); virtual void read_file(char *); - virtual void setup(); + void setup() override; virtual void repulsive(Param *, double, double &, int, double &); virtual double zeta(Param *, double, double, double *, double *); virtual void force_zeta(Param *, double, double, double &, double &, int, double &); diff --git a/src/MANYBODY/pair_gw.h b/src/MANYBODY/pair_gw.h index ffd8665c05..c5698d331a 100644 --- a/src/MANYBODY/pair_gw.h +++ b/src/MANYBODY/pair_gw.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairGW : public Pair { public: PairGW(class LAMMPS *); - virtual ~PairGW(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); + ~PairGW() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; static constexpr int NPARAMS_PER_LINE = 17; diff --git a/src/MANYBODY/pair_gw_zbl.h b/src/MANYBODY/pair_gw_zbl.h index 97a5d8ce8f..10c02c91f5 100644 --- a/src/MANYBODY/pair_gw_zbl.h +++ b/src/MANYBODY/pair_gw_zbl.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class PairGWZBL : public PairGW { public: PairGWZBL(class LAMMPS *); - ~PairGWZBL() {} static constexpr int NPARAMS_PER_LINE = 21; @@ -36,11 +35,11 @@ class PairGWZBL : public PairGW { double global_epsilon_0; // permittivity of vacuum for Coulomb repulsion double global_e; // proton charge (negative of electron charge) - void read_file(char *); - void repulsive(Param *, double, double &, int, double &); + void read_file(char *) override; + void repulsive(Param *, double, double &, int, double &) override; - double gw_fa(double, Param *); - double gw_fa_d(double, Param *); + double gw_fa(double, Param *) override; + double gw_fa_d(double, Param *) override; double F_fermi(double, Param *); double F_fermi_d(double, Param *); diff --git a/src/MANYBODY/pair_lcbop.h b/src/MANYBODY/pair_lcbop.h index 836e66e160..e27d44a5f6 100644 --- a/src/MANYBODY/pair_lcbop.h +++ b/src/MANYBODY/pair_lcbop.h @@ -29,13 +29,13 @@ namespace LAMMPS_NS { class PairLCBOP : public Pair { public: PairLCBOP(class LAMMPS *); - virtual ~PairLCBOP(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - double memory_usage(); + ~PairLCBOP() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + double memory_usage() override; protected: int **pages; // neighbor list pages diff --git a/src/MANYBODY/pair_local_density.h b/src/MANYBODY/pair_local_density.h index ef67d2c084..dd466e622d 100644 --- a/src/MANYBODY/pair_local_density.h +++ b/src/MANYBODY/pair_local_density.h @@ -31,19 +31,19 @@ namespace LAMMPS_NS { class PairLocalDensity : public Pair { public: PairLocalDensity(class LAMMPS *); - virtual ~PairLocalDensity(); - virtual void compute(int, int); - void settings(int, char **); - virtual void coeff(int, char **); - void init_style(); - double init_one(int, int); - double single(int, int, int, int, double, double, double, double &); + ~PairLocalDensity() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; - virtual int pack_forward_comm(int, int *, double *, int, int *); - virtual void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - double memory_usage(); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + double memory_usage() override; protected: //------------------------------------------------------------------------ diff --git a/src/MANYBODY/pair_meam_spline.h b/src/MANYBODY/pair_meam_spline.h index c20077f2eb..34e2960726 100644 --- a/src/MANYBODY/pair_meam_spline.h +++ b/src/MANYBODY/pair_meam_spline.h @@ -40,16 +40,16 @@ namespace LAMMPS_NS { class PairMEAMSpline : public Pair { public: PairMEAMSpline(class LAMMPS *); - virtual ~PairMEAMSpline(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); + ~PairMEAMSpline() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; void get_coeff(double *, double *); double pair_density(int); double three_body_density(int); - void init_style(); - void init_list(int, class NeighList *); - double init_one(int, int); + void init_style() override; + void init_list(int, class NeighList *) override; + double init_one(int, int) override; // helper functions for compute() @@ -59,11 +59,11 @@ class PairMEAMSpline : public Pair { } int i_to_potl(const int itype) const { return itype - 1; } - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - double memory_usage(); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + double memory_usage() override; protected: class SplineFunction { diff --git a/src/MANYBODY/pair_meam_sw_spline.h b/src/MANYBODY/pair_meam_sw_spline.h index 6f065f53f4..6129b164d5 100644 --- a/src/MANYBODY/pair_meam_sw_spline.h +++ b/src/MANYBODY/pair_meam_sw_spline.h @@ -38,19 +38,19 @@ namespace LAMMPS_NS { class PairMEAMSWSpline : public Pair { public: PairMEAMSWSpline(class LAMMPS *); - virtual ~PairMEAMSWSpline(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - void init_list(int, class NeighList *); - double init_one(int, int); + ~PairMEAMSWSpline() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + void init_list(int, class NeighList *) override; + double init_one(int, int) override; - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - double memory_usage(); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + double memory_usage() override; protected: class SplineFunction { diff --git a/src/MANYBODY/pair_nb3b_harmonic.h b/src/MANYBODY/pair_nb3b_harmonic.h index 159e7f8433..48fe5cf3ca 100644 --- a/src/MANYBODY/pair_nb3b_harmonic.h +++ b/src/MANYBODY/pair_nb3b_harmonic.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairNb3bHarmonic : public Pair { public: PairNb3bHarmonic(class LAMMPS *); - virtual ~PairNb3bHarmonic(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void init_style(); + ~PairNb3bHarmonic() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void init_style() override; static constexpr int NPARAMS_PER_LINE = 6; diff --git a/src/MANYBODY/pair_polymorphic.h b/src/MANYBODY/pair_polymorphic.h index b57a9a2268..5841d3f580 100644 --- a/src/MANYBODY/pair_polymorphic.h +++ b/src/MANYBODY/pair_polymorphic.h @@ -29,12 +29,12 @@ class TabularFunction; class PairPolymorphic : public Pair { public: PairPolymorphic(class LAMMPS *); - virtual ~PairPolymorphic(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); + ~PairPolymorphic() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; protected: struct PairParameters { diff --git a/src/MANYBODY/pair_rebo.h b/src/MANYBODY/pair_rebo.h index 94e5b9a228..b55ee87e76 100644 --- a/src/MANYBODY/pair_rebo.h +++ b/src/MANYBODY/pair_rebo.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class PairREBO : public PairAIREBO { public: PairREBO(class LAMMPS *); - void settings(int, char **); - void spline_init(); + void settings(int, char **) override; + void spline_init() override; }; } // namespace LAMMPS_NS diff --git a/src/MANYBODY/pair_sw.h b/src/MANYBODY/pair_sw.h index 6509c460d6..02389020a3 100644 --- a/src/MANYBODY/pair_sw.h +++ b/src/MANYBODY/pair_sw.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairSW : public Pair { public: PairSW(class LAMMPS *); - virtual ~PairSW(); - virtual void compute(int, int); - virtual void coeff(int, char **); - virtual double init_one(int, int); - virtual void init_style(); + ~PairSW() override; + void compute(int, int) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void init_style() override; static constexpr int NPARAMS_PER_LINE = 14; @@ -53,7 +53,7 @@ class PairSW : public Pair { int maxshort; // size of short neighbor list array int *neighshort; // short neighbor list array - virtual void settings(int, char **); + void settings(int, char **) override; virtual void allocate(); void read_file(char *); virtual void setup_params(); diff --git a/src/MANYBODY/pair_sw_mod.h b/src/MANYBODY/pair_sw_mod.h index 580f031e00..c8d306238b 100644 --- a/src/MANYBODY/pair_sw_mod.h +++ b/src/MANYBODY/pair_sw_mod.h @@ -27,15 +27,14 @@ namespace LAMMPS_NS { class PairSWMOD : public PairSW { public: PairSWMOD(class LAMMPS *); - virtual ~PairSWMOD() {} protected: double delta1; double delta2; - void settings(int, char **); + void settings(int, char **) override; void threebody(Param *, Param *, Param *, double, double, double *, double *, double *, double *, - int, double &); + int, double &) override; }; } // namespace LAMMPS_NS diff --git a/src/MANYBODY/pair_tersoff.h b/src/MANYBODY/pair_tersoff.h index f1ee2a1100..b246c8260d 100644 --- a/src/MANYBODY/pair_tersoff.h +++ b/src/MANYBODY/pair_tersoff.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairTersoff : public Pair { public: PairTersoff(class LAMMPS *); - virtual ~PairTersoff(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - double init_one(int, int); + ~PairTersoff() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; template void eval(); diff --git a/src/MANYBODY/pair_tersoff_mod.h b/src/MANYBODY/pair_tersoff_mod.h index 8ae2c56a89..bc14012e37 100644 --- a/src/MANYBODY/pair_tersoff_mod.h +++ b/src/MANYBODY/pair_tersoff_mod.h @@ -28,21 +28,20 @@ namespace LAMMPS_NS { class PairTersoffMOD : public PairTersoff { public: PairTersoffMOD(class LAMMPS *); - ~PairTersoffMOD() {} static constexpr int NPARAMS_PER_LINE = 20; protected: - virtual void read_file(char *); - virtual void setup_params(); - double zeta(Param *, double, double, double *, double *); + void read_file(char *) override; + void setup_params() override; + double zeta(Param *, double, double, double *, double *) override; - double ters_fc(double, Param *); - double ters_fc_d(double, Param *); - double ters_bij(double, Param *); - double ters_bij_d(double, Param *); + double ters_fc(double, Param *) override; + double ters_fc_d(double, Param *) override; + double ters_bij(double, Param *) override; + double ters_bij_d(double, Param *) override; void ters_zetaterm_d(double, double *, double, double, double *, double, double, double *, - double *, double *, Param *); + double *, double *, Param *) override; // inlined functions for efficiency // these replace but do not override versions in PairTersoff diff --git a/src/MANYBODY/pair_tersoff_mod_c.h b/src/MANYBODY/pair_tersoff_mod_c.h index 09565fb9de..e39c8e4340 100644 --- a/src/MANYBODY/pair_tersoff_mod_c.h +++ b/src/MANYBODY/pair_tersoff_mod_c.h @@ -27,13 +27,12 @@ namespace LAMMPS_NS { class PairTersoffMODC : public PairTersoffMOD { public: PairTersoffMODC(class LAMMPS *lmp) : PairTersoffMOD(lmp){}; - ~PairTersoffMODC() {} static constexpr int NPARAMS_PER_LINE = 21; protected: - void read_file(char *); - void repulsive(Param *, double, double &, int, double &); + void read_file(char *) override; + void repulsive(Param *, double, double &, int, double &) override; }; } // namespace LAMMPS_NS diff --git a/src/MANYBODY/pair_tersoff_table.h b/src/MANYBODY/pair_tersoff_table.h index ab345d8af2..cb4dd7ce18 100644 --- a/src/MANYBODY/pair_tersoff_table.h +++ b/src/MANYBODY/pair_tersoff_table.h @@ -36,12 +36,12 @@ namespace LAMMPS_NS { class PairTersoffTable : public Pair { public: PairTersoffTable(class LAMMPS *); - virtual ~PairTersoffTable(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); + ~PairTersoffTable() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; static constexpr int NPARAMS_PER_LINE = 17; diff --git a/src/MANYBODY/pair_tersoff_zbl.h b/src/MANYBODY/pair_tersoff_zbl.h index ea081cce77..f0b10e417a 100644 --- a/src/MANYBODY/pair_tersoff_zbl.h +++ b/src/MANYBODY/pair_tersoff_zbl.h @@ -27,7 +27,6 @@ namespace LAMMPS_NS { class PairTersoffZBL : public PairTersoff { public: PairTersoffZBL(class LAMMPS *); - ~PairTersoffZBL() {} static constexpr int NPARAMS_PER_LINE = 21; @@ -36,11 +35,11 @@ class PairTersoffZBL : public PairTersoff { double global_epsilon_0; // permittivity of vacuum for Coulomb repulsion double global_e; // proton charge (negative of electron charge) - void read_file(char *); - void repulsive(Param *, double, double &, int, double &); + void read_file(char *) override; + void repulsive(Param *, double, double &, int, double &) override; - double ters_fa(double, Param *); - double ters_fa_d(double, Param *); + double ters_fa(double, Param *) override; + double ters_fa_d(double, Param *) override; double F_fermi(double, Param *); double F_fermi_d(double, Param *); diff --git a/src/MANYBODY/pair_vashishta.h b/src/MANYBODY/pair_vashishta.h index bfb527439c..e774e2165f 100644 --- a/src/MANYBODY/pair_vashishta.h +++ b/src/MANYBODY/pair_vashishta.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairVashishta : public Pair { public: PairVashishta(class LAMMPS *); - virtual ~PairVashishta(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void init_style(); + ~PairVashishta() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void init_style() override; static constexpr int NPARAMS_PER_LINE = 17; diff --git a/src/MANYBODY/pair_vashishta_table.h b/src/MANYBODY/pair_vashishta_table.h index 7033fdc163..646529da56 100644 --- a/src/MANYBODY/pair_vashishta_table.h +++ b/src/MANYBODY/pair_vashishta_table.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class PairVashishtaTable : public PairVashishta { public: PairVashishtaTable(class LAMMPS *); - ~PairVashishtaTable(); - void compute(int, int); - void settings(int, char **); - double memory_usage(); + ~PairVashishtaTable() override; + void compute(int, int) override; + void settings(int, char **) override; + double memory_usage() override; protected: int ntable; @@ -40,7 +40,7 @@ class PairVashishtaTable : public PairVashishta { double ***potentialTable; // table of potential energies void twobody_table(const Param &, double, double &, int, double &); - void setup_params(); + void setup_params() override; void create_tables(); }; diff --git a/src/MC/pair_dsmc.h b/src/MC/pair_dsmc.h index 947c0dafb2..36ae8ea21b 100644 --- a/src/MC/pair_dsmc.h +++ b/src/MC/pair_dsmc.h @@ -27,16 +27,16 @@ namespace LAMMPS_NS { class PairDSMC : public Pair { public: PairDSMC(class LAMMPS *); - virtual ~PairDSMC(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); + ~PairDSMC() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; private: double cut_global; diff --git a/src/MEAM/pair_meam.h b/src/MEAM/pair_meam.h index 347869c293..e3e3767ba3 100644 --- a/src/MEAM/pair_meam.h +++ b/src/MEAM/pair_meam.h @@ -28,20 +28,20 @@ namespace LAMMPS_NS { class PairMEAM : public Pair { public: PairMEAM(class LAMMPS *); - ~PairMEAM(); - void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - void init_list(int, class NeighList *); - double init_one(int, int); - virtual void *extract(const char *, int &); + ~PairMEAM() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + void init_list(int, class NeighList *) override; + double init_one(int, int) override; + void *extract(const char *, int &) override; - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); - double memory_usage(); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; + double memory_usage() override; private: class MEAM *meam_inst; diff --git a/src/MESONT/pair_mesocnt.h b/src/MESONT/pair_mesocnt.h index 3db576ad7d..559a260f3f 100644 --- a/src/MESONT/pair_mesocnt.h +++ b/src/MESONT/pair_mesocnt.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairMesoCNT : public Pair { public: PairMesoCNT(class LAMMPS *); - ~PairMesoCNT(); - void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); + ~PairMesoCNT() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; protected: int uinf_points, gamma_points, phi_points, usemi_points; diff --git a/src/MESONT/pair_mesont_tpm.h b/src/MESONT/pair_mesont_tpm.h index ee8bd9ece6..edb5d320bf 100644 --- a/src/MESONT/pair_mesont_tpm.h +++ b/src/MESONT/pair_mesont_tpm.h @@ -29,18 +29,18 @@ namespace LAMMPS_NS { class PairMESONTTPM : public Pair { public: PairMESONTTPM(class LAMMPS *); - virtual ~PairMESONTTPM(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual void init_style(); + ~PairMESONTTPM() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + void init_style() override; double energy_s; // accumulated energies for stretching double energy_b; // accumulated energies for bending @@ -57,7 +57,7 @@ class PairMESONTTPM : public Pair { int nmax; virtual void allocate(); - virtual void *extract(const char *, int &); + void *extract(const char *, int &) override; }; } // namespace LAMMPS_NS diff --git a/src/MGPT/pair_mgpt.h b/src/MGPT/pair_mgpt.h index ed73ed1f35..355a17522b 100644 --- a/src/MGPT/pair_mgpt.h +++ b/src/MGPT/pair_mgpt.h @@ -259,13 +259,13 @@ public: public: PairMGPT(class LAMMPS *); - ~PairMGPT(); - void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - void init_list(int, class NeighList *); - double init_one(int, int); + ~PairMGPT() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + void init_list(int, class NeighList *) override; + double init_one(int, int) override; private: diff --git a/src/MISC/pair_agni.h b/src/MISC/pair_agni.h index 2a1e700d29..b324b5a98a 100644 --- a/src/MISC/pair_agni.h +++ b/src/MISC/pair_agni.h @@ -28,12 +28,12 @@ class PairAGNI : public Pair { public: enum { AGNI_VERSION_UNKNOWN, AGNI_VERSION_1, AGNI_VERSION_2 }; PairAGNI(class LAMMPS *); - virtual ~PairAGNI(); - virtual void compute(int, int); - void settings(int, char **); - virtual void coeff(int, char **); - virtual double init_one(int, int); - virtual void init_style(); + ~PairAGNI() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void init_style() override; struct Param { double cut, cutsq; diff --git a/src/MISC/pair_list.h b/src/MISC/pair_list.h index 60fd3a7a24..8a1bb98729 100644 --- a/src/MISC/pair_list.h +++ b/src/MISC/pair_list.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class PairList : public Pair { public: PairList(class LAMMPS *); - virtual ~PairList(); + ~PairList() override; - virtual void compute(int, int); - virtual void settings(int, char **); - virtual void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - virtual double memory_usage(); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + double memory_usage() override; protected: void allocate(); diff --git a/src/MISC/pair_srp.h b/src/MISC/pair_srp.h index 4c56edaaf3..5c6816e695 100644 --- a/src/MISC/pair_srp.h +++ b/src/MISC/pair_srp.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairSRP : public Pair { public: PairSRP(class LAMMPS *); - virtual ~PairSRP(); - virtual void compute(int, int); - virtual void settings(int, char **); - virtual void coeff(int, char **); - void init_style(); - double init_one(int, int); - virtual void write_data(FILE *); - virtual void write_data_all(FILE *); - virtual void write_restart(FILE *); - virtual void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); + ~PairSRP() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; private: inline void onetwoexclude(int *&, int &, int *&, int *&, int **&); diff --git a/src/MISC/pair_tracker.h b/src/MISC/pair_tracker.h index c6825c410e..1942408659 100644 --- a/src/MISC/pair_tracker.h +++ b/src/MISC/pair_tracker.h @@ -27,19 +27,19 @@ namespace LAMMPS_NS { class PairTracker : public Pair { public: PairTracker(class LAMMPS *); - virtual ~PairTracker(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - double atom2cut(int); - double radii2cut(double, double); + ~PairTracker() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + double atom2cut(int) override; + double radii2cut(double, double) override; protected: int sizeflag; @@ -55,7 +55,7 @@ class PairTracker : public Pair { class FixNeighHistory *fix_history; class FixPairTracker *fix_pair_tracker; - void transfer_history(double *, double *); + void transfer_history(double *, double *) override; void allocate(); }; diff --git a/src/ML-IAP/mliap_descriptor_so3.h b/src/ML-IAP/mliap_descriptor_so3.h index ec19e91b75..40d88e4cfb 100644 --- a/src/ML-IAP/mliap_descriptor_so3.h +++ b/src/ML-IAP/mliap_descriptor_so3.h @@ -22,14 +22,14 @@ class MLIAPDescriptorSO3 : public MLIAPDescriptor { public: MLIAPDescriptorSO3(LAMMPS *, char *); - virtual ~MLIAPDescriptorSO3(); + ~MLIAPDescriptorSO3() override; - virtual void compute_descriptors(class MLIAPData *); - virtual void compute_forces(class MLIAPData *); - virtual void compute_force_gradients(class MLIAPData *){}; - virtual void compute_descriptor_gradients(class MLIAPData *){}; - virtual void init(); - virtual double memory_usage(); + void compute_descriptors(class MLIAPData *) override; + void compute_forces(class MLIAPData *) override; + void compute_force_gradients(class MLIAPData *) override{}; + void compute_descriptor_gradients(class MLIAPData *) override{}; + void init() override; + double memory_usage() override; double rcutfac; diff --git a/src/ML-IAP/mliap_model.h b/src/ML-IAP/mliap_model.h index 23895f29c3..bc38b8b58d 100644 --- a/src/ML-IAP/mliap_model.h +++ b/src/ML-IAP/mliap_model.h @@ -44,7 +44,7 @@ class MLIAPModel : protected Pointers { class MLIAPModelSimple : public MLIAPModel { public: MLIAPModelSimple(LAMMPS *, char *); - ~MLIAPModelSimple() override{}; + double memory_usage() override; protected: diff --git a/src/ML-IAP/mliap_model_nn.h b/src/ML-IAP/mliap_model_nn.h index 5a45a34b5f..f2e43bccc8 100644 --- a/src/ML-IAP/mliap_model_nn.h +++ b/src/ML-IAP/mliap_model_nn.h @@ -23,13 +23,13 @@ namespace LAMMPS_NS { class MLIAPModelNN : public MLIAPModel { public: MLIAPModelNN(LAMMPS *, char * = nullptr); - ~MLIAPModelNN(); - virtual int get_nparams(); - virtual int get_gamma_nnz(class MLIAPData *); - virtual void compute_gradients(class MLIAPData *); - virtual void compute_gradgrads(class MLIAPData *); - virtual void compute_force_gradients(class MLIAPData *); - virtual double memory_usage(); + ~MLIAPModelNN() override; + int get_nparams() override; + int get_gamma_nnz(class MLIAPData *) override; + void compute_gradients(class MLIAPData *) override; + void compute_gradgrads(class MLIAPData *) override; + void compute_force_gradients(class MLIAPData *) override; + double memory_usage() override; int nlayers; // number of layers per element @@ -37,7 +37,7 @@ class MLIAPModelNN : public MLIAPModel { int *activation; // activation functions int *nnodes; // number of nodes per layer double ***scale; // element scale values - virtual void read_coeffs(char *); + void read_coeffs(char *) override; inline double sigm(double x, double &deriv) { diff --git a/src/ML-IAP/pair_mliap.h b/src/ML-IAP/pair_mliap.h index 641772effb..902b005041 100644 --- a/src/ML-IAP/pair_mliap.h +++ b/src/ML-IAP/pair_mliap.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class PairMLIAP : public Pair { public: PairMLIAP(class LAMMPS *); - ~PairMLIAP(); - virtual void compute(int, int); - void settings(int, char **); - virtual void coeff(int, char **); + ~PairMLIAP() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; void e_tally(class MLIAPData *); void v_tally(int, int, double *, double *); - virtual void init_style(); - virtual double init_one(int, int); - virtual double memory_usage(); + void init_style() override; + double init_one(int, int) override; + double memory_usage() override; int *map; // mapping from atom types to elements protected: diff --git a/src/ML-QUIP/pair_quip.h b/src/ML-QUIP/pair_quip.h index 3040dc0ffd..49a381f5d0 100644 --- a/src/ML-QUIP/pair_quip.h +++ b/src/ML-QUIP/pair_quip.h @@ -34,13 +34,13 @@ namespace LAMMPS_NS { class PairQUIP : public Pair { public: PairQUIP(class LAMMPS *); - ~PairQUIP(); + ~PairQUIP() override; - void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; void allocate(); private: diff --git a/src/ML-RANN/pair_rann.h b/src/ML-RANN/pair_rann.h index 71b4dcd4e6..15724575fa 100644 --- a/src/ML-RANN/pair_rann.h +++ b/src/ML-RANN/pair_rann.h @@ -51,13 +51,13 @@ class PairRANN : public Pair { public: //inherited functions PairRANN(class LAMMPS *); - ~PairRANN(); - void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void init_list(int, NeighList *); + ~PairRANN() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void init_list(int, NeighList *) override; void errorf(const char *, int, const char *); int factorial(int); diff --git a/src/ML-RANN/rann_activation_linear.h b/src/ML-RANN/rann_activation_linear.h index 930ce70ee0..8f0d65f35c 100644 --- a/src/ML-RANN/rann_activation_linear.h +++ b/src/ML-RANN/rann_activation_linear.h @@ -38,9 +38,9 @@ namespace RANN { class Activation_linear : public Activation { public: Activation_linear(class PairRANN *); - double activation_function(double); - double dactivation_function(double); - double ddactivation_function(double); + double activation_function(double) override; + double dactivation_function(double) override; + double ddactivation_function(double) override; }; Activation_linear::Activation_linear(PairRANN *_pair) : Activation(_pair) diff --git a/src/ML-RANN/rann_activation_sig_i.h b/src/ML-RANN/rann_activation_sig_i.h index fc82fe300d..01384b2061 100644 --- a/src/ML-RANN/rann_activation_sig_i.h +++ b/src/ML-RANN/rann_activation_sig_i.h @@ -39,9 +39,9 @@ namespace RANN { class Activation_sigI : public Activation { public: Activation_sigI(class PairRANN *); - double activation_function(double); - double dactivation_function(double); - double ddactivation_function(double); + double activation_function(double) override; + double dactivation_function(double) override; + double ddactivation_function(double) override; }; Activation_sigI::Activation_sigI(PairRANN *_pair) : Activation(_pair) diff --git a/src/ML-RANN/rann_fingerprint_bond.h b/src/ML-RANN/rann_fingerprint_bond.h index cc844993cc..2d845f4e6f 100644 --- a/src/ML-RANN/rann_fingerprint_bond.h +++ b/src/ML-RANN/rann_fingerprint_bond.h @@ -39,20 +39,20 @@ namespace RANN { class Fingerprint_bond : public Fingerprint { public: Fingerprint_bond(PairRANN *); - ~Fingerprint_bond(); - bool parse_values(std::string, std::vector); - void write_values(FILE *); - void init(int *, int); - void allocate(); + ~Fingerprint_bond() override; + bool parse_values(std::string, std::vector) override; + void write_values(FILE *) override; + void init(int *, int) override; + void allocate() override; void compute_fingerprint(double *, double *, double *, double *, int, int, double *, double *, - double *, int *, int, int *); + double *, int *, int, int *) override; void do3bodyfeatureset_doubleneighborloop(double *, double *, double *, double *, int, int, double *, double *, double *, int *, int, int *); void do3bodyfeatureset_singleneighborloop(double *, double *, double *, double *, int, int, double *, double *, double *, int *, int, int *); void generate_exp_cut_table(); void generate_coefficients(); - int get_length(); + int get_length() override; double *expcuttable; double *dfctable; diff --git a/src/ML-RANN/rann_fingerprint_bondscreened.h b/src/ML-RANN/rann_fingerprint_bondscreened.h index 17f2874f7b..104c2b0bb8 100644 --- a/src/ML-RANN/rann_fingerprint_bondscreened.h +++ b/src/ML-RANN/rann_fingerprint_bondscreened.h @@ -39,14 +39,14 @@ namespace RANN { class Fingerprint_bondscreened : public Fingerprint { public: Fingerprint_bondscreened(PairRANN *); - ~Fingerprint_bondscreened(); - bool parse_values(std::string, std::vector); - void write_values(FILE *); - void init(int *, int); - void allocate(); + ~Fingerprint_bondscreened() override; + bool parse_values(std::string, std::vector) override; + void write_values(FILE *) override; + void init(int *, int) override; + void allocate() override; void compute_fingerprint(double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, bool *, int, int, double *, - double *, double *, int *, int, int *); + double *, double *, int *, int, int *) override; void do3bodyfeatureset_doubleneighborloop(double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, bool *, int, int, double *, double *, @@ -57,7 +57,7 @@ namespace RANN { double *, int *, int, int *); void generate_exp_cut_table(); void generate_coefficients(); - int get_length(); + int get_length() override; double *expcuttable; double *dfctable; diff --git a/src/ML-RANN/rann_fingerprint_bondscreenedspin.h b/src/ML-RANN/rann_fingerprint_bondscreenedspin.h index 306fa9ae75..5d52a18926 100644 --- a/src/ML-RANN/rann_fingerprint_bondscreenedspin.h +++ b/src/ML-RANN/rann_fingerprint_bondscreenedspin.h @@ -39,14 +39,14 @@ namespace RANN { class Fingerprint_bondscreenedspin : public Fingerprint { public: Fingerprint_bondscreenedspin(PairRANN *); - ~Fingerprint_bondscreenedspin(); - bool parse_values(std::string, std::vector); - void write_values(FILE *); - void init(int *, int); - void allocate(); + ~Fingerprint_bondscreenedspin() override; + bool parse_values(std::string, std::vector) override; + void write_values(FILE *) override; + void init(int *, int) override; + void allocate() override; void compute_fingerprint(double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, - bool *, int, int, double *, double *, double *, int *, int, int *); + bool *, int, int, double *, double *, double *, int *, int, int *) override; void do3bodyfeatureset_doubleneighborloop(double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, bool *, int, @@ -57,7 +57,7 @@ namespace RANN { int, double *, double *, double *, int *, int, int *); void generate_exp_cut_table(); void generate_coefficients(); - int get_length(); + int get_length() override; double *expcuttable; double *dfctable; diff --git a/src/ML-RANN/rann_fingerprint_bondspin.h b/src/ML-RANN/rann_fingerprint_bondspin.h index e3577fdb3a..fb97893c8d 100644 --- a/src/ML-RANN/rann_fingerprint_bondspin.h +++ b/src/ML-RANN/rann_fingerprint_bondspin.h @@ -38,14 +38,14 @@ namespace RANN { class Fingerprint_bondspin : public Fingerprint { public: Fingerprint_bondspin(PairRANN *); - ~Fingerprint_bondspin(); - bool parse_values(std::string, std::vector); - void write_values(FILE *); - void init(int *, int); - void allocate(); - virtual void compute_fingerprint(double *, double *, double *, double *, double *, double *, + ~Fingerprint_bondspin() override; + bool parse_values(std::string, std::vector) override; + void write_values(FILE *) override; + void init(int *, int) override; + void allocate() override; + void compute_fingerprint(double *, double *, double *, double *, double *, double *, double *, int, int, double *, double *, double *, int *, int, - int *); //spin + int *) override; //spin void do3bodyfeatureset_doubleneighborloop(double *, double *, double *, double *, double *, double *, double *, int, int, double *, double *, double *, int *, int, int *); @@ -54,7 +54,7 @@ namespace RANN { double *, int *, int, int *); void generate_exp_cut_table(); void generate_coefficients(); - int get_length(); + int get_length() override; double *expcuttable; double *dfctable; diff --git a/src/ML-RANN/rann_fingerprint_radial.h b/src/ML-RANN/rann_fingerprint_radial.h index 1b5e6bf479..c2cdd01c07 100644 --- a/src/ML-RANN/rann_fingerprint_radial.h +++ b/src/ML-RANN/rann_fingerprint_radial.h @@ -39,14 +39,14 @@ namespace RANN { class Fingerprint_radial : public Fingerprint { public: Fingerprint_radial(PairRANN *); - ~Fingerprint_radial(); - bool parse_values(std::string, std::vector); - void write_values(FILE *); - void init(int *, int); - void allocate(); + ~Fingerprint_radial() override; + bool parse_values(std::string, std::vector) override; + void write_values(FILE *) override; + void init(int *, int) override; + void allocate() override; void compute_fingerprint(double *, double *, double *, double *, int, int, double *, double *, - double *, int *, int, int *); - int get_length(); + double *, int *, int, int *) override; + int get_length() override; double *radialtable; double *dfctable; diff --git a/src/ML-RANN/rann_fingerprint_radialscreened.h b/src/ML-RANN/rann_fingerprint_radialscreened.h index 180bc5823d..885b15dee1 100644 --- a/src/ML-RANN/rann_fingerprint_radialscreened.h +++ b/src/ML-RANN/rann_fingerprint_radialscreened.h @@ -38,15 +38,15 @@ namespace RANN { class Fingerprint_radialscreened : public Fingerprint { public: Fingerprint_radialscreened(PairRANN *); - ~Fingerprint_radialscreened(); - bool parse_values(std::string, std::vector); - void write_values(FILE *); - void init(int *, int); - void allocate(); + ~Fingerprint_radialscreened() override; + bool parse_values(std::string, std::vector) override; + void write_values(FILE *) override; + void init(int *, int) override; + void allocate() override; void compute_fingerprint(double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, bool *, int, int, double *, - double *, double *, int *, int, int *); - int get_length(); + double *, double *, int *, int, int *) override; + int get_length() override; double *radialtable; double *dfctable; diff --git a/src/ML-RANN/rann_fingerprint_radialscreenedspin.h b/src/ML-RANN/rann_fingerprint_radialscreenedspin.h index 5bf3cc07ef..0ea498cf23 100644 --- a/src/ML-RANN/rann_fingerprint_radialscreenedspin.h +++ b/src/ML-RANN/rann_fingerprint_radialscreenedspin.h @@ -38,16 +38,16 @@ namespace RANN { class Fingerprint_radialscreenedspin : public Fingerprint { public: Fingerprint_radialscreenedspin(PairRANN *); - ~Fingerprint_radialscreenedspin(); - bool parse_values(std::string, std::vector); - void write_values(FILE *); - void init(int *, int); - void allocate(); - virtual void compute_fingerprint(double *, double *, double *, double *, double *, double *, + ~Fingerprint_radialscreenedspin() override; + bool parse_values(std::string, std::vector) override; + void write_values(FILE *) override; + void init(int *, int) override; + void allocate() override; + void compute_fingerprint(double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, double *, bool *, int, int, double *, double *, - double *, int *, int, int *); //spin,screen - int get_length(); + double *, int *, int, int *) override; //spin,screen + int get_length() override; double *radialtable; double *dfctable; diff --git a/src/ML-RANN/rann_fingerprint_radialspin.h b/src/ML-RANN/rann_fingerprint_radialspin.h index 3bab1a0e28..778c479481 100644 --- a/src/ML-RANN/rann_fingerprint_radialspin.h +++ b/src/ML-RANN/rann_fingerprint_radialspin.h @@ -38,14 +38,14 @@ namespace RANN { class Fingerprint_radialspin : public Fingerprint { public: Fingerprint_radialspin(PairRANN *); - ~Fingerprint_radialspin(); - bool parse_values(std::string, std::vector); - void write_values(FILE *); - void init(int *, int); - void allocate(); + ~Fingerprint_radialspin() override; + bool parse_values(std::string, std::vector) override; + void write_values(FILE *) override; + void init(int *, int) override; + void allocate() override; void compute_fingerprint(double *, double *, double *, double *, double *, double *, double *, - int, int, double *, double *, double *, int *, int, int *); - int get_length(); + int, int, double *, double *, double *, int *, int, int *) override; + int get_length() override; double *radialtable; double *dfctable; diff --git a/src/ML-SNAP/pair_snap.h b/src/ML-SNAP/pair_snap.h index 9b07282462..26640aed1a 100644 --- a/src/ML-SNAP/pair_snap.h +++ b/src/ML-SNAP/pair_snap.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class PairSNAP : public Pair { public: PairSNAP(class LAMMPS *); - ~PairSNAP(); - virtual void compute(int, int); - void settings(int, char **); - virtual void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - virtual double memory_usage(); - virtual void *extract(const char *, int &); + ~PairSNAP() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + double memory_usage() override; + void *extract(const char *, int &) override; double rcutfac, quadraticflag; // declared public to workaround gcc 4.9 int ncoeff; // compiler bug, manifest in KOKKOS package diff --git a/src/MOFFF/pair_buck6d_coul_gauss_dsf.h b/src/MOFFF/pair_buck6d_coul_gauss_dsf.h index bce07e89f1..5d3a642180 100644 --- a/src/MOFFF/pair_buck6d_coul_gauss_dsf.h +++ b/src/MOFFF/pair_buck6d_coul_gauss_dsf.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairBuck6dCoulGaussDSF : public Pair { public: PairBuck6dCoulGaussDSF(class LAMMPS *); - virtual ~PairBuck6dCoulGaussDSF(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairBuck6dCoulGaussDSF() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_lj_global; diff --git a/src/MOFFF/pair_buck6d_coul_gauss_long.h b/src/MOFFF/pair_buck6d_coul_gauss_long.h index f25328d82e..28cc6e3bb7 100644 --- a/src/MOFFF/pair_buck6d_coul_gauss_long.h +++ b/src/MOFFF/pair_buck6d_coul_gauss_long.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairBuck6dCoulGaussLong : public Pair { public: PairBuck6dCoulGaussLong(class LAMMPS *); - virtual ~PairBuck6dCoulGaussLong(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairBuck6dCoulGaussLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_lj_global; diff --git a/src/MOLECULE/pair_hbond_dreiding_lj.h b/src/MOLECULE/pair_hbond_dreiding_lj.h index 67b5262e32..5912282702 100644 --- a/src/MOLECULE/pair_hbond_dreiding_lj.h +++ b/src/MOLECULE/pair_hbond_dreiding_lj.h @@ -27,13 +27,13 @@ namespace LAMMPS_NS { class PairHbondDreidingLJ : public Pair { public: PairHbondDreidingLJ(class LAMMPS *); - virtual ~PairHbondDreidingLJ(); - virtual void compute(int, int); - void settings(int, char **); - virtual void coeff(int, char **); - virtual void init_style(); - double init_one(int, int); - virtual double single(int, int, int, int, double, double, double, double &); + ~PairHbondDreidingLJ() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_inner_global, cut_outer_global, cut_angle_global; diff --git a/src/MOLECULE/pair_hbond_dreiding_morse.h b/src/MOLECULE/pair_hbond_dreiding_morse.h index 9c0fa8f198..fa9d9ac588 100644 --- a/src/MOLECULE/pair_hbond_dreiding_morse.h +++ b/src/MOLECULE/pair_hbond_dreiding_morse.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairHbondDreidingMorse : public PairHbondDreidingLJ { public: PairHbondDreidingMorse(class LAMMPS *); - virtual ~PairHbondDreidingMorse(){}; - virtual void compute(int, int); - void coeff(int, char **); - void init_style(); - double single(int, int, int, int, double, double, double, double &); + + void compute(int, int) override; + void coeff(int, char **) override; + void init_style() override; + double single(int, int, int, int, double, double, double, double &) override; }; } // namespace LAMMPS_NS diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm.h b/src/MOLECULE/pair_lj_charmm_coul_charmm.h index b6878dd60b..4f938f154b 100644 --- a/src/MOLECULE/pair_lj_charmm_coul_charmm.h +++ b/src/MOLECULE/pair_lj_charmm_coul_charmm.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairLJCharmmCoulCharmm : public Pair { public: PairLJCharmmCoulCharmm(class LAMMPS *); - virtual ~PairLJCharmmCoulCharmm(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + ~PairLJCharmmCoulCharmm() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: int implicit; diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h b/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h index 5c497187ad..b358f6e1bc 100644 --- a/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h +++ b/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class PairLJCharmmCoulCharmmImplicit : public PairLJCharmmCoulCharmm { public: PairLJCharmmCoulCharmmImplicit(class LAMMPS *); - virtual void compute(int, int); - double single(int, int, int, int, double, double, double, double &); + void compute(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; }; } // namespace LAMMPS_NS diff --git a/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h b/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h index fd517e584f..f9931055f4 100644 --- a/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h +++ b/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairLJCharmmfswCoulCharmmfsh : public Pair { public: PairLJCharmmfswCoulCharmmfsh(class LAMMPS *); - virtual ~PairLJCharmmfswCoulCharmmfsh(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + ~PairLJCharmmfswCoulCharmmfsh() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: int implicit; diff --git a/src/MOLECULE/pair_lj_cut_tip4p_cut.h b/src/MOLECULE/pair_lj_cut_tip4p_cut.h index 4e113649be..83e180915e 100644 --- a/src/MOLECULE/pair_lj_cut_tip4p_cut.h +++ b/src/MOLECULE/pair_lj_cut_tip4p_cut.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairLJCutTIP4PCut : public Pair { public: PairLJCutTIP4PCut(class LAMMPS *); - virtual ~PairLJCutTIP4PCut(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - void write_restart(FILE *); - void read_restart(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - void *extract(const char *, int &); - double memory_usage(); + ~PairLJCutTIP4PCut() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + void *extract(const char *, int &) override; + double memory_usage() override; protected: double cut_lj_global, cut_coul_global; diff --git a/src/MOLECULE/pair_tip4p_cut.h b/src/MOLECULE/pair_tip4p_cut.h index 8280a78ecf..eb5d0256b3 100644 --- a/src/MOLECULE/pair_tip4p_cut.h +++ b/src/MOLECULE/pair_tip4p_cut.h @@ -27,17 +27,17 @@ namespace LAMMPS_NS { class PairTIP4PCut : public Pair { public: PairTIP4PCut(class LAMMPS *); - virtual ~PairTIP4PCut(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - void write_restart(FILE *); - void read_restart(FILE *); - double memory_usage(); + ~PairTIP4PCut() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + double memory_usage() override; protected: double cut_coul_global; diff --git a/src/OPENMP/pair_adp_omp.h b/src/OPENMP/pair_adp_omp.h index d60d004dc1..f1df192f0e 100644 --- a/src/OPENMP/pair_adp_omp.h +++ b/src/OPENMP/pair_adp_omp.h @@ -34,8 +34,8 @@ class PairADPOMP : public PairADP, public ThrOMP { public: PairADPOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_agni_omp.h b/src/OPENMP/pair_agni_omp.h index 832db111d3..9288b982cf 100644 --- a/src/OPENMP/pair_agni_omp.h +++ b/src/OPENMP/pair_agni_omp.h @@ -34,8 +34,8 @@ class PairAGNIOMP : public PairAGNI, public ThrOMP { public: PairAGNIOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_airebo_morse_omp.h b/src/OPENMP/pair_airebo_morse_omp.h index aea460098f..b7212b1b1c 100644 --- a/src/OPENMP/pair_airebo_morse_omp.h +++ b/src/OPENMP/pair_airebo_morse_omp.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class PairAIREBOMorseOMP : public PairAIREBOOMP { public: PairAIREBOMorseOMP(class LAMMPS *); - virtual void settings(int, char **); + void settings(int, char **) override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/pair_airebo_omp.h b/src/OPENMP/pair_airebo_omp.h index 355614552e..5f94c6d13a 100644 --- a/src/OPENMP/pair_airebo_omp.h +++ b/src/OPENMP/pair_airebo_omp.h @@ -29,8 +29,8 @@ class PairAIREBOOMP : public PairAIREBO, public ThrOMP { public: PairAIREBOOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; protected: double bondorder_thr(int i, int j, double rij[3], double rijmag, double VA, ThrData *const thr); diff --git a/src/OPENMP/pair_beck_omp.h b/src/OPENMP/pair_beck_omp.h index b21ea4dda8..55bf4db335 100644 --- a/src/OPENMP/pair_beck_omp.h +++ b/src/OPENMP/pair_beck_omp.h @@ -34,8 +34,8 @@ class PairBeckOMP : public PairBeck, public ThrOMP { public: PairBeckOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_born_coul_long_omp.h b/src/OPENMP/pair_born_coul_long_omp.h index 78923925b0..e61353cbcd 100644 --- a/src/OPENMP/pair_born_coul_long_omp.h +++ b/src/OPENMP/pair_born_coul_long_omp.h @@ -34,8 +34,8 @@ class PairBornCoulLongOMP : public PairBornCoulLong, public ThrOMP { public: PairBornCoulLongOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_born_coul_msm_omp.h b/src/OPENMP/pair_born_coul_msm_omp.h index 71845a574d..c1e52006c6 100644 --- a/src/OPENMP/pair_born_coul_msm_omp.h +++ b/src/OPENMP/pair_born_coul_msm_omp.h @@ -34,8 +34,8 @@ class PairBornCoulMSMOMP : public PairBornCoulMSM, public ThrOMP { public: PairBornCoulMSMOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_born_coul_wolf_omp.h b/src/OPENMP/pair_born_coul_wolf_omp.h index 9037fa7554..afcfe41fe6 100644 --- a/src/OPENMP/pair_born_coul_wolf_omp.h +++ b/src/OPENMP/pair_born_coul_wolf_omp.h @@ -34,8 +34,8 @@ class PairBornCoulWolfOMP : public PairBornCoulWolf, public ThrOMP { public: PairBornCoulWolfOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_born_omp.h b/src/OPENMP/pair_born_omp.h index 198e3148aa..dfa262f300 100644 --- a/src/OPENMP/pair_born_omp.h +++ b/src/OPENMP/pair_born_omp.h @@ -34,8 +34,8 @@ class PairBornOMP : public PairBorn, public ThrOMP { public: PairBornOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_brownian_omp.h b/src/OPENMP/pair_brownian_omp.h index 42ca4babc6..53abf600a4 100644 --- a/src/OPENMP/pair_brownian_omp.h +++ b/src/OPENMP/pair_brownian_omp.h @@ -33,10 +33,10 @@ class PairBrownianOMP : public PairBrownian, public ThrOMP { public: PairBrownianOMP(class LAMMPS *); - virtual ~PairBrownianOMP(); + ~PairBrownianOMP() override; - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; protected: class RanMars **random_thr; diff --git a/src/OPENMP/pair_brownian_poly_omp.h b/src/OPENMP/pair_brownian_poly_omp.h index 1fe54e809d..9ff184fb78 100644 --- a/src/OPENMP/pair_brownian_poly_omp.h +++ b/src/OPENMP/pair_brownian_poly_omp.h @@ -33,10 +33,10 @@ class PairBrownianPolyOMP : public PairBrownianPoly, public ThrOMP { public: PairBrownianPolyOMP(class LAMMPS *); - virtual ~PairBrownianPolyOMP(); + ~PairBrownianPolyOMP() override; - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; protected: class RanMars **random_thr; diff --git a/src/OPENMP/pair_buck_coul_cut_omp.h b/src/OPENMP/pair_buck_coul_cut_omp.h index 163950cad7..5e714853d8 100644 --- a/src/OPENMP/pair_buck_coul_cut_omp.h +++ b/src/OPENMP/pair_buck_coul_cut_omp.h @@ -34,8 +34,8 @@ class PairBuckCoulCutOMP : public PairBuckCoulCut, public ThrOMP { public: PairBuckCoulCutOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_buck_coul_long_omp.h b/src/OPENMP/pair_buck_coul_long_omp.h index 7f55db80c1..2bca674344 100644 --- a/src/OPENMP/pair_buck_coul_long_omp.h +++ b/src/OPENMP/pair_buck_coul_long_omp.h @@ -34,8 +34,8 @@ class PairBuckCoulLongOMP : public PairBuckCoulLong, public ThrOMP { public: PairBuckCoulLongOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_buck_coul_msm_omp.h b/src/OPENMP/pair_buck_coul_msm_omp.h index 8377bb2077..8928234007 100644 --- a/src/OPENMP/pair_buck_coul_msm_omp.h +++ b/src/OPENMP/pair_buck_coul_msm_omp.h @@ -34,8 +34,8 @@ class PairBuckCoulMSMOMP : public PairBuckCoulMSM, public ThrOMP { public: PairBuckCoulMSMOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_buck_long_coul_long_omp.h b/src/OPENMP/pair_buck_long_coul_long_omp.h index 76502fd05c..3681e6e48e 100644 --- a/src/OPENMP/pair_buck_long_coul_long_omp.h +++ b/src/OPENMP/pair_buck_long_coul_long_omp.h @@ -30,10 +30,10 @@ class PairBuckLongCoulLongOMP : public PairBuckLongCoulLong, public ThrOMP { public: PairBuckLongCoulLongOMP(class LAMMPS *); - virtual void compute(int, int); - virtual void compute_inner(); - virtual void compute_middle(); - virtual void compute_outer(int, int); + void compute(int, int) override; + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; private: template diff --git a/src/OPENMP/pair_colloid_omp.h b/src/OPENMP/pair_colloid_omp.h index bcebbd4437..f433c57723 100644 --- a/src/OPENMP/pair_colloid_omp.h +++ b/src/OPENMP/pair_colloid_omp.h @@ -34,8 +34,8 @@ class PairColloidOMP : public PairColloid, public ThrOMP { public: PairColloidOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_comb_omp.h b/src/OPENMP/pair_comb_omp.h index 69adc2fe3e..0eedff3b5f 100644 --- a/src/OPENMP/pair_comb_omp.h +++ b/src/OPENMP/pair_comb_omp.h @@ -29,10 +29,10 @@ class PairCombOMP : public PairComb, public ThrOMP { public: PairCombOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; - virtual double yasu_char(double *, int &); + double yasu_char(double *, int &) override; private: template diff --git a/src/OPENMP/pair_coul_cut_global_omp.h b/src/OPENMP/pair_coul_cut_global_omp.h index 118b769e0b..811c2fe913 100644 --- a/src/OPENMP/pair_coul_cut_global_omp.h +++ b/src/OPENMP/pair_coul_cut_global_omp.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class PairCoulCutGlobalOMP : public PairCoulCutOMP { public: PairCoulCutGlobalOMP(class LAMMPS *lmp) : PairCoulCutOMP(lmp) {} - void coeff(int, char **); - void *extract(const char *, int &); + void coeff(int, char **) override; + void *extract(const char *, int &) override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/pair_coul_cut_omp.h b/src/OPENMP/pair_coul_cut_omp.h index 1cfad1f91a..218ff4cfc2 100644 --- a/src/OPENMP/pair_coul_cut_omp.h +++ b/src/OPENMP/pair_coul_cut_omp.h @@ -34,8 +34,8 @@ class PairCoulCutOMP : public PairCoulCut, public ThrOMP { public: PairCoulCutOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_coul_cut_soft_omp.h b/src/OPENMP/pair_coul_cut_soft_omp.h index 54bcc58efd..b2ecc64b80 100644 --- a/src/OPENMP/pair_coul_cut_soft_omp.h +++ b/src/OPENMP/pair_coul_cut_soft_omp.h @@ -34,8 +34,8 @@ class PairCoulCutSoftOMP : public PairCoulCutSoft, public ThrOMP { public: PairCoulCutSoftOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_coul_debye_omp.h b/src/OPENMP/pair_coul_debye_omp.h index f993c6bafd..e1b67a7d26 100644 --- a/src/OPENMP/pair_coul_debye_omp.h +++ b/src/OPENMP/pair_coul_debye_omp.h @@ -34,8 +34,8 @@ class PairCoulDebyeOMP : public PairCoulDebye, public ThrOMP { public: PairCoulDebyeOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_coul_diel_omp.h b/src/OPENMP/pair_coul_diel_omp.h index 5a86469056..4c7c386e86 100644 --- a/src/OPENMP/pair_coul_diel_omp.h +++ b/src/OPENMP/pair_coul_diel_omp.h @@ -34,8 +34,8 @@ class PairCoulDielOMP : public PairCoulDiel, public ThrOMP { public: PairCoulDielOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_coul_dsf_omp.h b/src/OPENMP/pair_coul_dsf_omp.h index 1ad36b5c39..d0aa45c11c 100644 --- a/src/OPENMP/pair_coul_dsf_omp.h +++ b/src/OPENMP/pair_coul_dsf_omp.h @@ -34,8 +34,8 @@ class PairCoulDSFOMP : public PairCoulDSF, public ThrOMP { public: PairCoulDSFOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_coul_long_omp.h b/src/OPENMP/pair_coul_long_omp.h index 80cfa8e601..cbe876f3d4 100644 --- a/src/OPENMP/pair_coul_long_omp.h +++ b/src/OPENMP/pair_coul_long_omp.h @@ -34,8 +34,8 @@ class PairCoulLongOMP : public PairCoulLong, public ThrOMP { public: PairCoulLongOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_coul_long_soft_omp.h b/src/OPENMP/pair_coul_long_soft_omp.h index e4cb6cdadb..6cee02c424 100644 --- a/src/OPENMP/pair_coul_long_soft_omp.h +++ b/src/OPENMP/pair_coul_long_soft_omp.h @@ -34,8 +34,8 @@ class PairCoulLongSoftOMP : public PairCoulLongSoft, public ThrOMP { public: PairCoulLongSoftOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_coul_msm_omp.h b/src/OPENMP/pair_coul_msm_omp.h index 4780567b4a..f825a57956 100644 --- a/src/OPENMP/pair_coul_msm_omp.h +++ b/src/OPENMP/pair_coul_msm_omp.h @@ -34,8 +34,8 @@ class PairCoulMSMOMP : public PairCoulMSM, public ThrOMP { public: PairCoulMSMOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_coul_wolf_omp.h b/src/OPENMP/pair_coul_wolf_omp.h index 09bec2e39c..47aadd7443 100644 --- a/src/OPENMP/pair_coul_wolf_omp.h +++ b/src/OPENMP/pair_coul_wolf_omp.h @@ -34,8 +34,8 @@ class PairCoulWolfOMP : public PairCoulWolf, public ThrOMP { public: PairCoulWolfOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_dpd_omp.h b/src/OPENMP/pair_dpd_omp.h index 73f80eff03..4b004ad81e 100644 --- a/src/OPENMP/pair_dpd_omp.h +++ b/src/OPENMP/pair_dpd_omp.h @@ -33,10 +33,10 @@ class PairDPDOMP : public PairDPD, public ThrOMP { public: PairDPDOMP(class LAMMPS *); - virtual ~PairDPDOMP(); + ~PairDPDOMP() override; - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; protected: class RanMars **random_thr; diff --git a/src/OPENMP/pair_dpd_tstat_omp.h b/src/OPENMP/pair_dpd_tstat_omp.h index 79c928075a..b9cbe902f7 100644 --- a/src/OPENMP/pair_dpd_tstat_omp.h +++ b/src/OPENMP/pair_dpd_tstat_omp.h @@ -33,10 +33,10 @@ class PairDPDTstatOMP : public PairDPDTstat, public ThrOMP { public: PairDPDTstatOMP(class LAMMPS *); - virtual ~PairDPDTstatOMP(); + ~PairDPDTstatOMP() override; - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; protected: class RanMars **random_thr; diff --git a/src/OPENMP/pair_eam_alloy_omp.h b/src/OPENMP/pair_eam_alloy_omp.h index d51b9698fc..38e32ddedf 100644 --- a/src/OPENMP/pair_eam_alloy_omp.h +++ b/src/OPENMP/pair_eam_alloy_omp.h @@ -29,12 +29,12 @@ namespace LAMMPS_NS { class PairEAMAlloyOMP : virtual public PairEAMOMP { public: PairEAMAlloyOMP(class LAMMPS *); - virtual ~PairEAMAlloyOMP() {} - void coeff(int, char **); + + void coeff(int, char **) override; protected: - void read_file(char *); - void file2array(); + void read_file(char *) override; + void file2array() override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/pair_eam_fs_omp.h b/src/OPENMP/pair_eam_fs_omp.h index 6455cbbd17..c68de71623 100644 --- a/src/OPENMP/pair_eam_fs_omp.h +++ b/src/OPENMP/pair_eam_fs_omp.h @@ -29,12 +29,12 @@ namespace LAMMPS_NS { class PairEAMFSOMP : virtual public PairEAMOMP { public: PairEAMFSOMP(class LAMMPS *); - virtual ~PairEAMFSOMP() {} - void coeff(int, char **); + + void coeff(int, char **) override; protected: - void read_file(char *); - void file2array(); + void read_file(char *) override; + void file2array() override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/pair_eam_omp.h b/src/OPENMP/pair_eam_omp.h index 14531f0105..3401241808 100644 --- a/src/OPENMP/pair_eam_omp.h +++ b/src/OPENMP/pair_eam_omp.h @@ -34,8 +34,8 @@ class PairEAMOMP : public PairEAM, public ThrOMP { public: PairEAMOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_edip_omp.h b/src/OPENMP/pair_edip_omp.h index a3b99ec46e..e9afe243ab 100644 --- a/src/OPENMP/pair_edip_omp.h +++ b/src/OPENMP/pair_edip_omp.h @@ -29,8 +29,8 @@ class PairEDIPOMP : public PairEDIP, public ThrOMP { public: PairEDIPOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_eim_omp.h b/src/OPENMP/pair_eim_omp.h index 8242c2d141..708c15243f 100644 --- a/src/OPENMP/pair_eim_omp.h +++ b/src/OPENMP/pair_eim_omp.h @@ -34,8 +34,8 @@ class PairEIMOMP : public PairEIM, public ThrOMP { public: PairEIMOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_gauss_cut_omp.h b/src/OPENMP/pair_gauss_cut_omp.h index d59daf3c3b..3ed1603222 100644 --- a/src/OPENMP/pair_gauss_cut_omp.h +++ b/src/OPENMP/pair_gauss_cut_omp.h @@ -34,8 +34,8 @@ class PairGaussCutOMP : public PairGaussCut, public ThrOMP { public: PairGaussCutOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_gauss_omp.h b/src/OPENMP/pair_gauss_omp.h index ec5ca92f70..4cda138e48 100644 --- a/src/OPENMP/pair_gauss_omp.h +++ b/src/OPENMP/pair_gauss_omp.h @@ -34,8 +34,8 @@ class PairGaussOMP : public PairGauss, public ThrOMP { public: PairGaussOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_gayberne_omp.h b/src/OPENMP/pair_gayberne_omp.h index 89d5f22023..3038f0faf6 100644 --- a/src/OPENMP/pair_gayberne_omp.h +++ b/src/OPENMP/pair_gayberne_omp.h @@ -34,8 +34,8 @@ class PairGayBerneOMP : public PairGayBerne, public ThrOMP { public: PairGayBerneOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_gran_hertz_history_omp.h b/src/OPENMP/pair_gran_hertz_history_omp.h index 029d37c6f8..393104d0d8 100644 --- a/src/OPENMP/pair_gran_hertz_history_omp.h +++ b/src/OPENMP/pair_gran_hertz_history_omp.h @@ -34,8 +34,8 @@ class PairGranHertzHistoryOMP : public PairGranHertzHistory, public ThrOMP { public: PairGranHertzHistoryOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_gran_hooke_history_omp.h b/src/OPENMP/pair_gran_hooke_history_omp.h index 3f0dd1d503..c07a847fab 100644 --- a/src/OPENMP/pair_gran_hooke_history_omp.h +++ b/src/OPENMP/pair_gran_hooke_history_omp.h @@ -34,8 +34,8 @@ class PairGranHookeHistoryOMP : public PairGranHookeHistory, public ThrOMP { public: PairGranHookeHistoryOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_gran_hooke_omp.h b/src/OPENMP/pair_gran_hooke_omp.h index 158b128558..153290a780 100644 --- a/src/OPENMP/pair_gran_hooke_omp.h +++ b/src/OPENMP/pair_gran_hooke_omp.h @@ -34,8 +34,8 @@ class PairGranHookeOMP : public PairGranHooke, public ThrOMP { public: PairGranHookeOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template void eval(int ifrom, int ito, ThrData *const thr); diff --git a/src/OPENMP/pair_harmonic_cut_omp.h b/src/OPENMP/pair_harmonic_cut_omp.h index 4f40d2cf2a..9e84e508c0 100644 --- a/src/OPENMP/pair_harmonic_cut_omp.h +++ b/src/OPENMP/pair_harmonic_cut_omp.h @@ -34,8 +34,8 @@ class PairHarmonicCutOMP : public PairHarmonicCut, public ThrOMP { public: PairHarmonicCutOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_hbond_dreiding_lj_omp.h b/src/OPENMP/pair_hbond_dreiding_lj_omp.h index b3a97c59db..7b51c071b9 100644 --- a/src/OPENMP/pair_hbond_dreiding_lj_omp.h +++ b/src/OPENMP/pair_hbond_dreiding_lj_omp.h @@ -33,10 +33,10 @@ class PairHbondDreidingLJOMP : public PairHbondDreidingLJ, public ThrOMP { public: PairHbondDreidingLJOMP(class LAMMPS *); - virtual ~PairHbondDreidingLJOMP(); + ~PairHbondDreidingLJOMP() override; - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; protected: double *hbcount_thr, *hbeng_thr; diff --git a/src/OPENMP/pair_hbond_dreiding_morse_omp.h b/src/OPENMP/pair_hbond_dreiding_morse_omp.h index 44b0671087..c5ebd9bc47 100644 --- a/src/OPENMP/pair_hbond_dreiding_morse_omp.h +++ b/src/OPENMP/pair_hbond_dreiding_morse_omp.h @@ -33,10 +33,10 @@ class PairHbondDreidingMorseOMP : public PairHbondDreidingMorse, public ThrOMP { public: PairHbondDreidingMorseOMP(class LAMMPS *); - virtual ~PairHbondDreidingMorseOMP(); + ~PairHbondDreidingMorseOMP() override; - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; protected: double *hbcount_thr, *hbeng_thr; diff --git a/src/OPENMP/pair_lj96_cut_omp.h b/src/OPENMP/pair_lj96_cut_omp.h index de2460c99f..59c6606cdb 100644 --- a/src/OPENMP/pair_lj96_cut_omp.h +++ b/src/OPENMP/pair_lj96_cut_omp.h @@ -34,8 +34,8 @@ class PairLJ96CutOMP : public PairLJ96Cut, public ThrOMP { public: PairLJ96CutOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_charmm_coul_charmm_implicit_omp.h b/src/OPENMP/pair_lj_charmm_coul_charmm_implicit_omp.h index e3b8d40d18..d6c08e2e97 100644 --- a/src/OPENMP/pair_lj_charmm_coul_charmm_implicit_omp.h +++ b/src/OPENMP/pair_lj_charmm_coul_charmm_implicit_omp.h @@ -34,8 +34,8 @@ class PairLJCharmmCoulCharmmImplicitOMP : public PairLJCharmmCoulCharmmImplicit, public: PairLJCharmmCoulCharmmImplicitOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_charmm_coul_charmm_omp.h b/src/OPENMP/pair_lj_charmm_coul_charmm_omp.h index 83d1e8bdc1..f020cba462 100644 --- a/src/OPENMP/pair_lj_charmm_coul_charmm_omp.h +++ b/src/OPENMP/pair_lj_charmm_coul_charmm_omp.h @@ -34,8 +34,8 @@ class PairLJCharmmCoulCharmmOMP : public PairLJCharmmCoulCharmm, public ThrOMP { public: PairLJCharmmCoulCharmmOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_charmm_coul_long_omp.h b/src/OPENMP/pair_lj_charmm_coul_long_omp.h index c507c5e29e..5dae557380 100644 --- a/src/OPENMP/pair_lj_charmm_coul_long_omp.h +++ b/src/OPENMP/pair_lj_charmm_coul_long_omp.h @@ -34,8 +34,8 @@ class PairLJCharmmCoulLongOMP : public PairLJCharmmCoulLong, public ThrOMP { public: PairLJCharmmCoulLongOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_charmm_coul_long_soft_omp.h b/src/OPENMP/pair_lj_charmm_coul_long_soft_omp.h index 757ddb689d..d4087d4e4f 100644 --- a/src/OPENMP/pair_lj_charmm_coul_long_soft_omp.h +++ b/src/OPENMP/pair_lj_charmm_coul_long_soft_omp.h @@ -34,8 +34,8 @@ class PairLJCharmmCoulLongSoftOMP : public PairLJCharmmCoulLongSoft, public ThrO public: PairLJCharmmCoulLongSoftOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_charmm_coul_msm_omp.h b/src/OPENMP/pair_lj_charmm_coul_msm_omp.h index 08f109e53e..b91c8faef6 100644 --- a/src/OPENMP/pair_lj_charmm_coul_msm_omp.h +++ b/src/OPENMP/pair_lj_charmm_coul_msm_omp.h @@ -34,8 +34,8 @@ class PairLJCharmmCoulMSMOMP : public PairLJCharmmCoulMSM, public ThrOMP { public: PairLJCharmmCoulMSMOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_class2_coul_cut_omp.h b/src/OPENMP/pair_lj_class2_coul_cut_omp.h index dbd9b77799..10d1574436 100644 --- a/src/OPENMP/pair_lj_class2_coul_cut_omp.h +++ b/src/OPENMP/pair_lj_class2_coul_cut_omp.h @@ -34,8 +34,8 @@ class PairLJClass2CoulCutOMP : public PairLJClass2CoulCut, public ThrOMP { public: PairLJClass2CoulCutOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_class2_coul_long_omp.h b/src/OPENMP/pair_lj_class2_coul_long_omp.h index 2db5dc9642..a6e297aea6 100644 --- a/src/OPENMP/pair_lj_class2_coul_long_omp.h +++ b/src/OPENMP/pair_lj_class2_coul_long_omp.h @@ -34,8 +34,8 @@ class PairLJClass2CoulLongOMP : public PairLJClass2CoulLong, public ThrOMP { public: PairLJClass2CoulLongOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_class2_omp.h b/src/OPENMP/pair_lj_class2_omp.h index 38e072a7f3..e9864c5985 100644 --- a/src/OPENMP/pair_lj_class2_omp.h +++ b/src/OPENMP/pair_lj_class2_omp.h @@ -34,8 +34,8 @@ class PairLJClass2OMP : public PairLJClass2, public ThrOMP { public: PairLJClass2OMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_cubic_omp.h b/src/OPENMP/pair_lj_cubic_omp.h index a4e74d95b9..a01c6ce5f1 100644 --- a/src/OPENMP/pair_lj_cubic_omp.h +++ b/src/OPENMP/pair_lj_cubic_omp.h @@ -34,8 +34,8 @@ class PairLJCubicOMP : public PairLJCubic, public ThrOMP { public: PairLJCubicOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_cut_coul_cut_dielectric_omp.h b/src/OPENMP/pair_lj_cut_coul_cut_dielectric_omp.h index 5f28aa4d17..527309909e 100644 --- a/src/OPENMP/pair_lj_cut_coul_cut_dielectric_omp.h +++ b/src/OPENMP/pair_lj_cut_coul_cut_dielectric_omp.h @@ -28,8 +28,8 @@ namespace LAMMPS_NS { class PairLJCutCoulCutDielectricOMP : public PairLJCutCoulCutDielectric, public ThrOMP { public: PairLJCutCoulCutDielectricOMP(class LAMMPS *); - virtual ~PairLJCutCoulCutDielectricOMP() = default; - virtual void compute(int, int); + ~PairLJCutCoulCutDielectricOMP() override = default; + void compute(int, int) override; protected: template diff --git a/src/OPENMP/pair_lj_cut_coul_cut_omp.h b/src/OPENMP/pair_lj_cut_coul_cut_omp.h index 36a35b112e..2b2af00741 100644 --- a/src/OPENMP/pair_lj_cut_coul_cut_omp.h +++ b/src/OPENMP/pair_lj_cut_coul_cut_omp.h @@ -34,8 +34,8 @@ class PairLJCutCoulCutOMP : public PairLJCutCoulCut, public ThrOMP { public: PairLJCutCoulCutOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_cut_coul_cut_soft_omp.h b/src/OPENMP/pair_lj_cut_coul_cut_soft_omp.h index bc25b7e18a..8482937910 100644 --- a/src/OPENMP/pair_lj_cut_coul_cut_soft_omp.h +++ b/src/OPENMP/pair_lj_cut_coul_cut_soft_omp.h @@ -34,8 +34,8 @@ class PairLJCutCoulCutSoftOMP : public PairLJCutCoulCutSoft, public ThrOMP { public: PairLJCutCoulCutSoftOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_cut_coul_debye_omp.h b/src/OPENMP/pair_lj_cut_coul_debye_omp.h index 8e565bdcdf..fdaf692bae 100644 --- a/src/OPENMP/pair_lj_cut_coul_debye_omp.h +++ b/src/OPENMP/pair_lj_cut_coul_debye_omp.h @@ -34,8 +34,8 @@ class PairLJCutCoulDebyeOMP : public PairLJCutCoulDebye, public ThrOMP { public: PairLJCutCoulDebyeOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_cut_coul_dsf_omp.h b/src/OPENMP/pair_lj_cut_coul_dsf_omp.h index 06ec6348e8..c7d5baf921 100644 --- a/src/OPENMP/pair_lj_cut_coul_dsf_omp.h +++ b/src/OPENMP/pair_lj_cut_coul_dsf_omp.h @@ -34,8 +34,8 @@ class PairLJCutCoulDSFOMP : public PairLJCutCoulDSF, public ThrOMP { public: PairLJCutCoulDSFOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_cut_coul_long_dielectric_omp.h b/src/OPENMP/pair_lj_cut_coul_long_dielectric_omp.h index f70809524f..4aa7e70ee6 100644 --- a/src/OPENMP/pair_lj_cut_coul_long_dielectric_omp.h +++ b/src/OPENMP/pair_lj_cut_coul_long_dielectric_omp.h @@ -29,8 +29,8 @@ class PairLJCutCoulLongDielectricOMP : public PairLJCutCoulLongDielectric, publi public: PairLJCutCoulLongDielectricOMP(class LAMMPS *); - virtual ~PairLJCutCoulLongDielectricOMP() = default; - virtual void compute(int, int); + ~PairLJCutCoulLongDielectricOMP() override = default; + void compute(int, int) override; protected: template diff --git a/src/OPENMP/pair_lj_cut_coul_long_omp.h b/src/OPENMP/pair_lj_cut_coul_long_omp.h index d18ca10f8e..ca7c30dede 100644 --- a/src/OPENMP/pair_lj_cut_coul_long_omp.h +++ b/src/OPENMP/pair_lj_cut_coul_long_omp.h @@ -34,8 +34,8 @@ class PairLJCutCoulLongOMP : public PairLJCutCoulLong, public ThrOMP { public: PairLJCutCoulLongOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_cut_coul_long_soft_omp.h b/src/OPENMP/pair_lj_cut_coul_long_soft_omp.h index 8ee2d3ced0..00c6b031a4 100644 --- a/src/OPENMP/pair_lj_cut_coul_long_soft_omp.h +++ b/src/OPENMP/pair_lj_cut_coul_long_soft_omp.h @@ -34,8 +34,8 @@ class PairLJCutCoulLongSoftOMP : public PairLJCutCoulLongSoft, public ThrOMP { public: PairLJCutCoulLongSoftOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_cut_coul_msm_omp.h b/src/OPENMP/pair_lj_cut_coul_msm_omp.h index 900a975991..8f9892903a 100644 --- a/src/OPENMP/pair_lj_cut_coul_msm_omp.h +++ b/src/OPENMP/pair_lj_cut_coul_msm_omp.h @@ -34,8 +34,8 @@ class PairLJCutCoulMSMOMP : public PairLJCutCoulMSM, public ThrOMP { public: PairLJCutCoulMSMOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_cut_coul_wolf_omp.h b/src/OPENMP/pair_lj_cut_coul_wolf_omp.h index b108769aee..b0fd2b3258 100644 --- a/src/OPENMP/pair_lj_cut_coul_wolf_omp.h +++ b/src/OPENMP/pair_lj_cut_coul_wolf_omp.h @@ -34,8 +34,8 @@ class PairLJCutCoulWolfOMP : public PairLJCutCoulWolf, public ThrOMP { public: PairLJCutCoulWolfOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_cut_dipole_cut_omp.h b/src/OPENMP/pair_lj_cut_dipole_cut_omp.h index 584810d1c2..117b17a0ac 100644 --- a/src/OPENMP/pair_lj_cut_dipole_cut_omp.h +++ b/src/OPENMP/pair_lj_cut_dipole_cut_omp.h @@ -34,8 +34,8 @@ class PairLJCutDipoleCutOMP : public PairLJCutDipoleCut, public ThrOMP { public: PairLJCutDipoleCutOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_cut_omp.h b/src/OPENMP/pair_lj_cut_omp.h index 1e93a589c4..604b5f2c81 100644 --- a/src/OPENMP/pair_lj_cut_omp.h +++ b/src/OPENMP/pair_lj_cut_omp.h @@ -34,8 +34,8 @@ class PairLJCutOMP : public PairLJCut, public ThrOMP { public: PairLJCutOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_cut_soft_omp.h b/src/OPENMP/pair_lj_cut_soft_omp.h index 8139cfb6fd..70a72f8986 100644 --- a/src/OPENMP/pair_lj_cut_soft_omp.h +++ b/src/OPENMP/pair_lj_cut_soft_omp.h @@ -34,8 +34,8 @@ class PairLJCutSoftOMP : public PairLJCutSoft, public ThrOMP { public: PairLJCutSoftOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_cut_thole_long_omp.h b/src/OPENMP/pair_lj_cut_thole_long_omp.h index 9e0e56a35f..ea17517487 100644 --- a/src/OPENMP/pair_lj_cut_thole_long_omp.h +++ b/src/OPENMP/pair_lj_cut_thole_long_omp.h @@ -29,7 +29,7 @@ class PairLJCutTholeLongOMP : public PairLJCutTholeLong, public ThrOMP { public: PairLJCutTholeLongOMP(class LAMMPS *); - virtual void compute(int, int); + void compute(int, int) override; private: template diff --git a/src/OPENMP/pair_lj_cut_tip4p_cut_omp.h b/src/OPENMP/pair_lj_cut_tip4p_cut_omp.h index a0700930ab..2516413af3 100644 --- a/src/OPENMP/pair_lj_cut_tip4p_cut_omp.h +++ b/src/OPENMP/pair_lj_cut_tip4p_cut_omp.h @@ -33,10 +33,10 @@ class PairLJCutTIP4PCutOMP : public PairLJCutTIP4PCut, public ThrOMP { public: PairLJCutTIP4PCutOMP(class LAMMPS *); - virtual ~PairLJCutTIP4PCutOMP(); + ~PairLJCutTIP4PCutOMP() override; - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: dbl3_t *newsite_thr; diff --git a/src/OPENMP/pair_lj_cut_tip4p_long_omp.h b/src/OPENMP/pair_lj_cut_tip4p_long_omp.h index 49598158dc..54e93a4791 100644 --- a/src/OPENMP/pair_lj_cut_tip4p_long_omp.h +++ b/src/OPENMP/pair_lj_cut_tip4p_long_omp.h @@ -33,10 +33,10 @@ class PairLJCutTIP4PLongOMP : public PairLJCutTIP4PLong, public ThrOMP { public: PairLJCutTIP4PLongOMP(class LAMMPS *); - virtual ~PairLJCutTIP4PLongOMP(); + ~PairLJCutTIP4PLongOMP() override; - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: dbl3_t *newsite_thr; diff --git a/src/OPENMP/pair_lj_cut_tip4p_long_soft_omp.h b/src/OPENMP/pair_lj_cut_tip4p_long_soft_omp.h index 9ca41a122b..0ea785b067 100644 --- a/src/OPENMP/pair_lj_cut_tip4p_long_soft_omp.h +++ b/src/OPENMP/pair_lj_cut_tip4p_long_soft_omp.h @@ -33,10 +33,10 @@ class PairLJCutTIP4PLongSoftOMP : public PairLJCutTIP4PLongSoft, public ThrOMP { public: PairLJCutTIP4PLongSoftOMP(class LAMMPS *); - virtual ~PairLJCutTIP4PLongSoftOMP(); + ~PairLJCutTIP4PLongSoftOMP() override; - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: dbl3_t *newsite_thr; diff --git a/src/OPENMP/pair_lj_expand_omp.h b/src/OPENMP/pair_lj_expand_omp.h index 3be4b6113d..ddfc09b789 100644 --- a/src/OPENMP/pair_lj_expand_omp.h +++ b/src/OPENMP/pair_lj_expand_omp.h @@ -34,8 +34,8 @@ class PairLJExpandOMP : public PairLJExpand, public ThrOMP { public: PairLJExpandOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_gromacs_coul_gromacs_omp.h b/src/OPENMP/pair_lj_gromacs_coul_gromacs_omp.h index 60c2d755b0..7ee77daf77 100644 --- a/src/OPENMP/pair_lj_gromacs_coul_gromacs_omp.h +++ b/src/OPENMP/pair_lj_gromacs_coul_gromacs_omp.h @@ -34,8 +34,8 @@ class PairLJGromacsCoulGromacsOMP : public PairLJGromacsCoulGromacs, public ThrO public: PairLJGromacsCoulGromacsOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_gromacs_omp.h b/src/OPENMP/pair_lj_gromacs_omp.h index ae69bae5f5..54e837864c 100644 --- a/src/OPENMP/pair_lj_gromacs_omp.h +++ b/src/OPENMP/pair_lj_gromacs_omp.h @@ -34,8 +34,8 @@ class PairLJGromacsOMP : public PairLJGromacs, public ThrOMP { public: PairLJGromacsOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_long_coul_long_omp.h b/src/OPENMP/pair_lj_long_coul_long_omp.h index 7ada6e7686..24b38ceeb6 100644 --- a/src/OPENMP/pair_lj_long_coul_long_omp.h +++ b/src/OPENMP/pair_lj_long_coul_long_omp.h @@ -34,11 +34,11 @@ class PairLJLongCoulLongOMP : public PairLJLongCoulLong, public ThrOMP { public: PairLJLongCoulLongOMP(class LAMMPS *); - virtual void compute(int, int); - virtual void compute_inner(); - virtual void compute_middle(); - virtual void compute_outer(int, int); - virtual double memory_usage(); + void compute(int, int) override; + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_sdk_coul_long_omp.h b/src/OPENMP/pair_lj_sdk_coul_long_omp.h index 7fc55ffde4..d19139de26 100644 --- a/src/OPENMP/pair_lj_sdk_coul_long_omp.h +++ b/src/OPENMP/pair_lj_sdk_coul_long_omp.h @@ -34,8 +34,8 @@ class PairLJSDKCoulLongOMP : public PairLJSDKCoulLong, public ThrOMP { public: PairLJSDKCoulLongOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_sdk_coul_msm_omp.h b/src/OPENMP/pair_lj_sdk_coul_msm_omp.h index d9f800b3a4..a1c881f4d0 100644 --- a/src/OPENMP/pair_lj_sdk_coul_msm_omp.h +++ b/src/OPENMP/pair_lj_sdk_coul_msm_omp.h @@ -34,8 +34,8 @@ class PairLJSDKCoulMSMOMP : public PairLJSDKCoulMSM, public ThrOMP { public: PairLJSDKCoulMSMOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_sdk_omp.h b/src/OPENMP/pair_lj_sdk_omp.h index ebd262f333..1ef27f6fb6 100644 --- a/src/OPENMP/pair_lj_sdk_omp.h +++ b/src/OPENMP/pair_lj_sdk_omp.h @@ -34,8 +34,8 @@ class PairLJSDKOMP : public PairLJSDK, public ThrOMP { public: PairLJSDKOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_sf_dipole_sf_omp.h b/src/OPENMP/pair_lj_sf_dipole_sf_omp.h index fd57a466b0..6f85cbd6ee 100644 --- a/src/OPENMP/pair_lj_sf_dipole_sf_omp.h +++ b/src/OPENMP/pair_lj_sf_dipole_sf_omp.h @@ -34,8 +34,8 @@ class PairLJSFDipoleSFOMP : public PairLJSFDipoleSF, public ThrOMP { public: PairLJSFDipoleSFOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_smooth_linear_omp.h b/src/OPENMP/pair_lj_smooth_linear_omp.h index e39362f6f7..b0ed2d6a12 100644 --- a/src/OPENMP/pair_lj_smooth_linear_omp.h +++ b/src/OPENMP/pair_lj_smooth_linear_omp.h @@ -35,8 +35,8 @@ class PairLJSmoothLinearOMP : public PairLJSmoothLinear, public ThrOMP { public: PairLJSmoothLinearOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lj_smooth_omp.h b/src/OPENMP/pair_lj_smooth_omp.h index b2497aa7a5..de8601b79c 100644 --- a/src/OPENMP/pair_lj_smooth_omp.h +++ b/src/OPENMP/pair_lj_smooth_omp.h @@ -34,8 +34,8 @@ class PairLJSmoothOMP : public PairLJSmooth, public ThrOMP { public: PairLJSmoothOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lubricate_omp.h b/src/OPENMP/pair_lubricate_omp.h index 1f5fc340bb..4c5d25f67d 100644 --- a/src/OPENMP/pair_lubricate_omp.h +++ b/src/OPENMP/pair_lubricate_omp.h @@ -33,10 +33,10 @@ class PairLubricateOMP : public PairLubricate, public ThrOMP { public: PairLubricateOMP(class LAMMPS *); - virtual ~PairLubricateOMP() = default; + ~PairLubricateOMP() override = default; - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_lubricate_poly_omp.h b/src/OPENMP/pair_lubricate_poly_omp.h index 5a36d232b8..4b783784b4 100644 --- a/src/OPENMP/pair_lubricate_poly_omp.h +++ b/src/OPENMP/pair_lubricate_poly_omp.h @@ -33,10 +33,10 @@ class PairLubricatePolyOMP : public PairLubricatePoly, public ThrOMP { public: PairLubricatePolyOMP(class LAMMPS *); - virtual ~PairLubricatePolyOMP() = default; + ~PairLubricatePolyOMP() override = default; - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_meam_spline_omp.h b/src/OPENMP/pair_meam_spline_omp.h index 7086705320..5e7dc49f67 100644 --- a/src/OPENMP/pair_meam_spline_omp.h +++ b/src/OPENMP/pair_meam_spline_omp.h @@ -34,8 +34,8 @@ class PairMEAMSplineOMP : public PairMEAMSpline, public ThrOMP { public: PairMEAMSplineOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template void eval(int iifrom, int iito, ThrData *const thr); diff --git a/src/OPENMP/pair_morse_omp.h b/src/OPENMP/pair_morse_omp.h index e390ef1cd2..a781ed327b 100644 --- a/src/OPENMP/pair_morse_omp.h +++ b/src/OPENMP/pair_morse_omp.h @@ -34,8 +34,8 @@ class PairMorseOMP : public PairMorse, public ThrOMP { public: PairMorseOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_morse_smooth_linear_omp.h b/src/OPENMP/pair_morse_smooth_linear_omp.h index ed1ad5c88c..ecddb473dd 100644 --- a/src/OPENMP/pair_morse_smooth_linear_omp.h +++ b/src/OPENMP/pair_morse_smooth_linear_omp.h @@ -29,8 +29,8 @@ class PairMorseSmoothLinearOMP : public PairMorseSmoothLinear, public ThrOMP { public: PairMorseSmoothLinearOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_nm_cut_coul_cut_omp.h b/src/OPENMP/pair_nm_cut_coul_cut_omp.h index 3d3aefb8f1..7a07dfda0d 100644 --- a/src/OPENMP/pair_nm_cut_coul_cut_omp.h +++ b/src/OPENMP/pair_nm_cut_coul_cut_omp.h @@ -34,8 +34,8 @@ class PairNMCutCoulCutOMP : public PairNMCutCoulCut, public ThrOMP { public: PairNMCutCoulCutOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_nm_cut_coul_long_omp.h b/src/OPENMP/pair_nm_cut_coul_long_omp.h index 1519af2547..0d59763ee5 100644 --- a/src/OPENMP/pair_nm_cut_coul_long_omp.h +++ b/src/OPENMP/pair_nm_cut_coul_long_omp.h @@ -34,8 +34,8 @@ class PairNMCutCoulLongOMP : public PairNMCutCoulLong, public ThrOMP { public: PairNMCutCoulLongOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_nm_cut_omp.h b/src/OPENMP/pair_nm_cut_omp.h index 15f90dff33..f9c93489c8 100644 --- a/src/OPENMP/pair_nm_cut_omp.h +++ b/src/OPENMP/pair_nm_cut_omp.h @@ -34,8 +34,8 @@ class PairNMCutOMP : public PairNMCut, public ThrOMP { public: PairNMCutOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_peri_lps_omp.h b/src/OPENMP/pair_peri_lps_omp.h index 758e17bcf3..5a2e32256c 100644 --- a/src/OPENMP/pair_peri_lps_omp.h +++ b/src/OPENMP/pair_peri_lps_omp.h @@ -34,8 +34,8 @@ class PairPeriLPSOMP : public PairPeriLPS, public ThrOMP { public: PairPeriLPSOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_peri_pmb_omp.h b/src/OPENMP/pair_peri_pmb_omp.h index e2017f841e..4e48a30b5b 100644 --- a/src/OPENMP/pair_peri_pmb_omp.h +++ b/src/OPENMP/pair_peri_pmb_omp.h @@ -34,8 +34,8 @@ class PairPeriPMBOMP : public PairPeriPMB, public ThrOMP { public: PairPeriPMBOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_reaxff_omp.h b/src/OPENMP/pair_reaxff_omp.h index 4424c90b39..d2ec2fb6bb 100644 --- a/src/OPENMP/pair_reaxff_omp.h +++ b/src/OPENMP/pair_reaxff_omp.h @@ -29,9 +29,9 @@ namespace LAMMPS_NS { class PairReaxFFOMP : public PairReaxFF, public ThrOMP { public: PairReaxFFOMP(class LAMMPS *); - ~PairReaxFFOMP(); - virtual void compute(int, int); - virtual void init_style(); + ~PairReaxFFOMP() override; + void compute(int, int) override; + void init_style() override; inline FixOMP *getFixOMP() { return fix; }; @@ -98,7 +98,7 @@ class PairReaxFFOMP : public PairReaxFF, public ThrOMP { } protected: - virtual void setup(); + void setup() override; virtual void write_reax_atoms(); virtual int estimate_reax_lists(); virtual int write_reax_lists(); diff --git a/src/OPENMP/pair_rebo_omp.h b/src/OPENMP/pair_rebo_omp.h index 5629a37318..55cfcfa647 100644 --- a/src/OPENMP/pair_rebo_omp.h +++ b/src/OPENMP/pair_rebo_omp.h @@ -27,10 +27,10 @@ namespace LAMMPS_NS { class PairREBOOMP : public PairAIREBOOMP { public: PairREBOOMP(class LAMMPS *); - virtual void settings(int, char **); + void settings(int, char **) override; protected: - void spline_init(); + void spline_init() override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/pair_resquared_omp.h b/src/OPENMP/pair_resquared_omp.h index 58718104ff..515e3dc8ec 100644 --- a/src/OPENMP/pair_resquared_omp.h +++ b/src/OPENMP/pair_resquared_omp.h @@ -34,8 +34,8 @@ class PairRESquaredOMP : public PairRESquared, public ThrOMP { public: PairRESquaredOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_soft_omp.h b/src/OPENMP/pair_soft_omp.h index 6435f5b4ca..d8a4d885f2 100644 --- a/src/OPENMP/pair_soft_omp.h +++ b/src/OPENMP/pair_soft_omp.h @@ -34,8 +34,8 @@ class PairSoftOMP : public PairSoft, public ThrOMP { public: PairSoftOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_sw_mod_omp.h b/src/OPENMP/pair_sw_mod_omp.h index 7e69ca283b..1b7fd31ee9 100644 --- a/src/OPENMP/pair_sw_mod_omp.h +++ b/src/OPENMP/pair_sw_mod_omp.h @@ -32,15 +32,14 @@ class PairSWMODOMP : public PairSWOMP { public: PairSWMODOMP(class LAMMPS *); - virtual ~PairSWMODOMP() {} protected: double delta1; double delta2; - void settings(int, char **); + void settings(int, char **) override; void threebody(Param *, Param *, Param *, double, double, double *, double *, double *, double *, - int, double &); + int, double &) override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/pair_sw_omp.h b/src/OPENMP/pair_sw_omp.h index 263e25e99a..84c35ae0e3 100644 --- a/src/OPENMP/pair_sw_omp.h +++ b/src/OPENMP/pair_sw_omp.h @@ -34,8 +34,8 @@ class PairSWOMP : public PairSW, public ThrOMP { public: PairSWOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template void eval(int ifrom, int ito, ThrData *const thr); diff --git a/src/OPENMP/pair_table_omp.h b/src/OPENMP/pair_table_omp.h index f3a02ce55e..8ccb8d7e87 100644 --- a/src/OPENMP/pair_table_omp.h +++ b/src/OPENMP/pair_table_omp.h @@ -34,8 +34,8 @@ class PairTableOMP : public PairTable, public ThrOMP { public: PairTableOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_tersoff_mod_c_omp.h b/src/OPENMP/pair_tersoff_mod_c_omp.h index 787089efc4..c50d74b67a 100644 --- a/src/OPENMP/pair_tersoff_mod_c_omp.h +++ b/src/OPENMP/pair_tersoff_mod_c_omp.h @@ -29,8 +29,8 @@ class PairTersoffMODCOMP : public PairTersoffMODC, public ThrOMP { public: PairTersoffMODCOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_tersoff_mod_omp.h b/src/OPENMP/pair_tersoff_mod_omp.h index e7dd8b6178..fd90a1bb57 100644 --- a/src/OPENMP/pair_tersoff_mod_omp.h +++ b/src/OPENMP/pair_tersoff_mod_omp.h @@ -29,8 +29,8 @@ class PairTersoffMODOMP : public PairTersoffMOD, public ThrOMP { public: PairTersoffMODOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_tersoff_omp.h b/src/OPENMP/pair_tersoff_omp.h index e044615138..22d7ea7597 100644 --- a/src/OPENMP/pair_tersoff_omp.h +++ b/src/OPENMP/pair_tersoff_omp.h @@ -29,8 +29,8 @@ class PairTersoffOMP : public PairTersoff, public ThrOMP { public: PairTersoffOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_tersoff_table_omp.h b/src/OPENMP/pair_tersoff_table_omp.h index c686087f11..1426334ee0 100644 --- a/src/OPENMP/pair_tersoff_table_omp.h +++ b/src/OPENMP/pair_tersoff_table_omp.h @@ -28,17 +28,17 @@ class PairTersoffTableOMP : public PairTersoffTable, public ThrOMP { public: PairTersoffTableOMP(class LAMMPS *); - virtual ~PairTersoffTableOMP(); + ~PairTersoffTableOMP() override; - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; protected: double ***thrGtetaFunction, ***thrGtetaFunctionDerived; double **thrCutoffFunction, **thrCutoffFunctionDerived; - void allocatePreLoops(); - void deallocatePreLoops(); + void allocatePreLoops() override; + void deallocatePreLoops() override; private: template void eval(int ifrom, int ito, ThrData *const thr); diff --git a/src/OPENMP/pair_tersoff_zbl_omp.h b/src/OPENMP/pair_tersoff_zbl_omp.h index 60426ea77c..cad15b2caa 100644 --- a/src/OPENMP/pair_tersoff_zbl_omp.h +++ b/src/OPENMP/pair_tersoff_zbl_omp.h @@ -26,16 +26,15 @@ namespace LAMMPS_NS { class PairTersoffZBLOMP : public PairTersoffOMP { public: PairTersoffZBLOMP(class LAMMPS *); - virtual ~PairTersoffZBLOMP() {} protected: double global_a_0; // Bohr radius for Coulomb repulsion double global_epsilon_0; // permittivity of vacuum for Coulomb repulsion double global_e; // proton charge (negative of electron charge) - virtual void read_file(char *); - virtual void repulsive(Param *, double, double &, int, double &); - virtual void force_zeta(Param *, double, double, double &, double &, int, double &); + void read_file(char *) override; + void repulsive(Param *, double, double &, int, double &) override; + void force_zeta(Param *, double, double, double &, double &, int, double &) override; }; } // namespace LAMMPS_NS diff --git a/src/OPENMP/pair_tip4p_cut_omp.h b/src/OPENMP/pair_tip4p_cut_omp.h index c9b1b367fe..56cde26914 100644 --- a/src/OPENMP/pair_tip4p_cut_omp.h +++ b/src/OPENMP/pair_tip4p_cut_omp.h @@ -33,10 +33,10 @@ class PairTIP4PCutOMP : public PairTIP4PCut, public ThrOMP { public: PairTIP4PCutOMP(class LAMMPS *); - virtual ~PairTIP4PCutOMP(); + ~PairTIP4PCutOMP() override; - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: dbl3_t *newsite_thr; diff --git a/src/OPENMP/pair_tip4p_long_omp.h b/src/OPENMP/pair_tip4p_long_omp.h index f19c2c6528..37eaae6c25 100644 --- a/src/OPENMP/pair_tip4p_long_omp.h +++ b/src/OPENMP/pair_tip4p_long_omp.h @@ -33,10 +33,10 @@ class PairTIP4PLongOMP : public PairTIP4PLong, public ThrOMP { public: PairTIP4PLongOMP(class LAMMPS *); - virtual ~PairTIP4PLongOMP(); + ~PairTIP4PLongOMP() override; - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: dbl3_t *newsite_thr; diff --git a/src/OPENMP/pair_tip4p_long_soft_omp.h b/src/OPENMP/pair_tip4p_long_soft_omp.h index 21b29310e5..be2840484f 100644 --- a/src/OPENMP/pair_tip4p_long_soft_omp.h +++ b/src/OPENMP/pair_tip4p_long_soft_omp.h @@ -33,10 +33,10 @@ class PairTIP4PLongSoftOMP : public PairTIP4PLongSoft, public ThrOMP { public: PairTIP4PLongSoftOMP(class LAMMPS *); - virtual ~PairTIP4PLongSoftOMP(); + ~PairTIP4PLongSoftOMP() override; - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: dbl3_t *newsite_thr; diff --git a/src/OPENMP/pair_ufm_omp.h b/src/OPENMP/pair_ufm_omp.h index 2c25393bba..27f68613f2 100644 --- a/src/OPENMP/pair_ufm_omp.h +++ b/src/OPENMP/pair_ufm_omp.h @@ -36,8 +36,8 @@ class PairUFMOMP : public PairUFM, public ThrOMP { public: PairUFMOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_vashishta_omp.h b/src/OPENMP/pair_vashishta_omp.h index f5b9fd1fb2..a161bc7c8b 100644 --- a/src/OPENMP/pair_vashishta_omp.h +++ b/src/OPENMP/pair_vashishta_omp.h @@ -34,8 +34,8 @@ class PairVashishtaOMP : public PairVashishta, public ThrOMP { public: PairVashishtaOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template void eval(int ifrom, int ito, ThrData *const thr); diff --git a/src/OPENMP/pair_vashishta_table_omp.h b/src/OPENMP/pair_vashishta_table_omp.h index 5f2a147361..2bc731a04a 100644 --- a/src/OPENMP/pair_vashishta_table_omp.h +++ b/src/OPENMP/pair_vashishta_table_omp.h @@ -34,8 +34,8 @@ class PairVashishtaTableOMP : public PairVashishtaTable, public ThrOMP { public: PairVashishtaTableOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template void eval(int ifrom, int ito, ThrData *const thr); diff --git a/src/OPENMP/pair_yukawa_colloid_omp.h b/src/OPENMP/pair_yukawa_colloid_omp.h index a1b0a840b3..5dddc26eb9 100644 --- a/src/OPENMP/pair_yukawa_colloid_omp.h +++ b/src/OPENMP/pair_yukawa_colloid_omp.h @@ -34,8 +34,8 @@ class PairYukawaColloidOMP : public PairYukawaColloid, public ThrOMP { public: PairYukawaColloidOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_yukawa_omp.h b/src/OPENMP/pair_yukawa_omp.h index 3d956d74c2..c905359fa3 100644 --- a/src/OPENMP/pair_yukawa_omp.h +++ b/src/OPENMP/pair_yukawa_omp.h @@ -34,8 +34,8 @@ class PairYukawaOMP : public PairYukawa, public ThrOMP { public: PairYukawaOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPENMP/pair_zbl_omp.h b/src/OPENMP/pair_zbl_omp.h index 65965b759a..3b482a7f5d 100644 --- a/src/OPENMP/pair_zbl_omp.h +++ b/src/OPENMP/pair_zbl_omp.h @@ -34,8 +34,8 @@ class PairZBLOMP : public PairZBL, public ThrOMP { public: PairZBLOMP(class LAMMPS *); - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; private: template diff --git a/src/OPT/pair_eam_alloy_opt.h b/src/OPT/pair_eam_alloy_opt.h index 7da08bfecb..b83ddc235b 100644 --- a/src/OPT/pair_eam_alloy_opt.h +++ b/src/OPT/pair_eam_alloy_opt.h @@ -28,7 +28,6 @@ namespace LAMMPS_NS { class PairEAMAlloyOpt : public PairEAMAlloy, public PairEAMOpt { public: PairEAMAlloyOpt(class LAMMPS *); - virtual ~PairEAMAlloyOpt() {} }; } // namespace LAMMPS_NS diff --git a/src/OPT/pair_eam_fs_opt.h b/src/OPT/pair_eam_fs_opt.h index 5349e25740..89cb54531c 100644 --- a/src/OPT/pair_eam_fs_opt.h +++ b/src/OPT/pair_eam_fs_opt.h @@ -28,7 +28,6 @@ namespace LAMMPS_NS { class PairEAMFSOpt : public PairEAMFS, public PairEAMOpt { public: PairEAMFSOpt(class LAMMPS *); - virtual ~PairEAMFSOpt() {} }; } // namespace LAMMPS_NS diff --git a/src/OPT/pair_eam_opt.h b/src/OPT/pair_eam_opt.h index 02af32b6a1..496439a3dc 100644 --- a/src/OPT/pair_eam_opt.h +++ b/src/OPT/pair_eam_opt.h @@ -29,8 +29,8 @@ namespace LAMMPS_NS { class PairEAMOpt : virtual public PairEAM { public: PairEAMOpt(class LAMMPS *); - virtual ~PairEAMOpt() {} - void compute(int, int); + + void compute(int, int) override; private: template void eval(); diff --git a/src/OPT/pair_lj_charmm_coul_long_opt.h b/src/OPT/pair_lj_charmm_coul_long_opt.h index b1f3a69069..0a652cfb93 100644 --- a/src/OPT/pair_lj_charmm_coul_long_opt.h +++ b/src/OPT/pair_lj_charmm_coul_long_opt.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class PairLJCharmmCoulLongOpt : public PairLJCharmmCoulLong { public: PairLJCharmmCoulLongOpt(class LAMMPS *); - void compute(int, int); + void compute(int, int) override; private: template void eval(); diff --git a/src/OPT/pair_lj_cut_coul_long_opt.h b/src/OPT/pair_lj_cut_coul_long_opt.h index 9b6fb077aa..e86f0fac05 100644 --- a/src/OPT/pair_lj_cut_coul_long_opt.h +++ b/src/OPT/pair_lj_cut_coul_long_opt.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class PairLJCutCoulLongOpt : public PairLJCutCoulLong { public: PairLJCutCoulLongOpt(class LAMMPS *); - virtual void compute(int, int); + void compute(int, int) override; protected: template void eval(); diff --git a/src/OPT/pair_lj_cut_opt.h b/src/OPT/pair_lj_cut_opt.h index 895ee64392..fb34efd99a 100644 --- a/src/OPT/pair_lj_cut_opt.h +++ b/src/OPT/pair_lj_cut_opt.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class PairLJCutOpt : public PairLJCut { public: PairLJCutOpt(class LAMMPS *); - void compute(int, int); + void compute(int, int) override; private: template void eval(); diff --git a/src/OPT/pair_lj_cut_tip4p_long_opt.h b/src/OPT/pair_lj_cut_tip4p_long_opt.h index dc82e077c0..a86fcd3298 100644 --- a/src/OPT/pair_lj_cut_tip4p_long_opt.h +++ b/src/OPT/pair_lj_cut_tip4p_long_opt.h @@ -27,10 +27,9 @@ namespace LAMMPS_NS { class PairLJCutTIP4PLongOpt : public PairLJCutTIP4PLong { public: PairLJCutTIP4PLongOpt(class LAMMPS *); - virtual ~PairLJCutTIP4PLongOpt(){}; - virtual void compute(int, int); - virtual double memory_usage(); + void compute(int, int) override; + double memory_usage() override; protected: template void eval(); diff --git a/src/OPT/pair_lj_long_coul_long_opt.h b/src/OPT/pair_lj_long_coul_long_opt.h index 47a10ef648..2ffcff23db 100644 --- a/src/OPT/pair_lj_long_coul_long_opt.h +++ b/src/OPT/pair_lj_long_coul_long_opt.h @@ -27,8 +27,8 @@ namespace LAMMPS_NS { class PairLJLongCoulLongOpt : public PairLJLongCoulLong { public: PairLJLongCoulLongOpt(class LAMMPS *); - virtual void compute(int, int); - virtual void compute_outer(int, int); + void compute(int, int) override; + void compute_outer(int, int) override; protected: template void eval(); diff --git a/src/OPT/pair_ufm_opt.h b/src/OPT/pair_ufm_opt.h index c79cf0024e..06fd07dd02 100644 --- a/src/OPT/pair_ufm_opt.h +++ b/src/OPT/pair_ufm_opt.h @@ -33,7 +33,7 @@ namespace LAMMPS_NS { class PairUFMOpt : public PairUFM { public: PairUFMOpt(class LAMMPS *); - void compute(int, int); + void compute(int, int) override; private: template void eval(); diff --git a/src/PERI/pair_peri.h b/src/PERI/pair_peri.h index f3b41de4f5..14c93aa14a 100644 --- a/src/PERI/pair_peri.h +++ b/src/PERI/pair_peri.h @@ -22,13 +22,13 @@ namespace LAMMPS_NS { class PairPeri : public Pair { public: PairPeri(class LAMMPS *); - virtual ~PairPeri(); + ~PairPeri() override; - virtual int pack_forward_comm(int, int *, double *, int, int *); - virtual void unpack_forward_comm(int, int, double *); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; - virtual void init_style(); - virtual void settings(int, char **); + void init_style() override; + void settings(int, char **) override; static constexpr double NEAR_ZERO = 2.2204e-16; double influence_function(const double &xi_x, const double &xi_y, const double &xi_z) const @@ -38,8 +38,8 @@ class PairPeri : public Pair { } void compute_dilatation(int, int); - double memory_usage(); - virtual void *extract(const char *, int &); + double memory_usage() override; + void *extract(const char *, int &) override; protected: class FixPeriNeigh *fix_peri_neigh; diff --git a/src/PERI/pair_peri_eps.h b/src/PERI/pair_peri_eps.h index 5d9a437ac8..b135537d97 100644 --- a/src/PERI/pair_peri_eps.h +++ b/src/PERI/pair_peri_eps.h @@ -27,15 +27,14 @@ namespace LAMMPS_NS { class PairPeriEPS : public PairPeri { public: PairPeriEPS(class LAMMPS *); - virtual ~PairPeriEPS() = default; - virtual void compute(int, int); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *) {} - void read_restart_settings(FILE *) {} + void compute(int, int) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override {} + void read_restart_settings(FILE *) override {} double compute_DeviatoricForceStateNorm(int); }; diff --git a/src/PERI/pair_peri_lps.h b/src/PERI/pair_peri_lps.h index 0d9132f612..13afdef06c 100644 --- a/src/PERI/pair_peri_lps.h +++ b/src/PERI/pair_peri_lps.h @@ -27,15 +27,14 @@ namespace LAMMPS_NS { class PairPeriLPS : public PairPeri { public: PairPeriLPS(class LAMMPS *); - virtual ~PairPeriLPS() = default; - virtual void compute(int, int); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *) {} - void read_restart_settings(FILE *) {} + void compute(int, int) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override {} + void read_restart_settings(FILE *) override {} }; } // namespace LAMMPS_NS diff --git a/src/PERI/pair_peri_pmb.h b/src/PERI/pair_peri_pmb.h index 44a46093de..a028c43aa3 100644 --- a/src/PERI/pair_peri_pmb.h +++ b/src/PERI/pair_peri_pmb.h @@ -27,18 +27,17 @@ namespace LAMMPS_NS { class PairPeriPMB : public PairPeri { public: PairPeriPMB(class LAMMPS *); - virtual ~PairPeriPMB() = default; - virtual void compute(int, int); - void coeff(int, char **); - double init_one(int, int); + void compute(int, int) override; + void coeff(int, char **) override; + double init_one(int, int) override; - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *) {} - void read_restart_settings(FILE *) {} + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override {} + void read_restart_settings(FILE *) override {} - double single(int, int, int, int, double, double, double, double &); + double single(int, int, int, int, double, double, double, double &) override; }; } // namespace LAMMPS_NS diff --git a/src/PERI/pair_peri_ves.h b/src/PERI/pair_peri_ves.h index e80c5e3383..330ee7ef02 100644 --- a/src/PERI/pair_peri_ves.h +++ b/src/PERI/pair_peri_ves.h @@ -27,15 +27,14 @@ namespace LAMMPS_NS { class PairPeriVES : public PairPeri { public: PairPeriVES(class LAMMPS *); - virtual ~PairPeriVES() = default; - virtual void compute(int, int); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *) {} - void read_restart_settings(FILE *) {} + void compute(int, int) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override {} + void read_restart_settings(FILE *) override {} }; } // namespace LAMMPS_NS diff --git a/src/REAXFF/pair_reaxff.h b/src/REAXFF/pair_reaxff.h index 23b2ae894a..3b8d84c93a 100644 --- a/src/REAXFF/pair_reaxff.h +++ b/src/REAXFF/pair_reaxff.h @@ -44,13 +44,13 @@ namespace LAMMPS_NS { class PairReaxFF : public Pair { public: PairReaxFF(class LAMMPS *); - ~PairReaxFF(); - void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - double init_one(int, int); - void *extract(const char *, int &); + ~PairReaxFF() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void *extract(const char *, int &) override; int fixbond_flag, fixspecies_flag; int **tmpid; double **tmpbo, **tmpr; @@ -69,7 +69,7 @@ class PairReaxFF : public Pair { int firstwarn; void allocate(); - void setup(); + void setup() override; void create_compute(); void create_fix(); void write_reax_atoms(); @@ -81,7 +81,7 @@ class PairReaxFF : public Pair { int nmax; void FindBond(); - double memory_usage(); + double memory_usage() override; }; } // namespace LAMMPS_NS diff --git a/src/REPLICA/hyper.h b/src/REPLICA/hyper.h index a6a7cc45da..8d20439c1c 100644 --- a/src/REPLICA/hyper.h +++ b/src/REPLICA/hyper.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class Hyper : public Command { public: Hyper(class LAMMPS *); - ~Hyper() override {} + void command(int, char **) override; private: diff --git a/src/REPLICA/prd.h b/src/REPLICA/prd.h index 5166380b1c..81582ec3d4 100644 --- a/src/REPLICA/prd.h +++ b/src/REPLICA/prd.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class PRD : public Command { public: PRD(class LAMMPS *); - ~PRD() override {} + void command(int, char **) override; private: diff --git a/src/SMTBQ/pair_smtbq.h b/src/SMTBQ/pair_smtbq.h index ec2de51fbc..636cff8266 100644 --- a/src/SMTBQ/pair_smtbq.h +++ b/src/SMTBQ/pair_smtbq.h @@ -27,14 +27,14 @@ namespace LAMMPS_NS { class PairSMTBQ : public Pair { public: PairSMTBQ(class LAMMPS *); - virtual ~PairSMTBQ(); - virtual void compute(int, int); + ~PairSMTBQ() override; + void compute(int, int) override; - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - double memory_usage(); + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + double memory_usage() override; protected: struct Param { @@ -140,10 +140,10 @@ class PairSMTBQ : public Pair { // =========================================== // Communication pack - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); - int pack_reverse_comm(int, int, double *); - void unpack_reverse_comm(int, int *, double *); + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; + int pack_reverse_comm(int, int, double *) override; + void unpack_reverse_comm(int, int *, double *) override; void forward(double *); void reverse(double *); void forward_int(int *); diff --git a/src/SPH/pair_sph_heatconduction.h b/src/SPH/pair_sph_heatconduction.h index bf8a96773f..de35075680 100644 --- a/src/SPH/pair_sph_heatconduction.h +++ b/src/SPH/pair_sph_heatconduction.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairSPHHeatConduction : public Pair { public: PairSPHHeatConduction(class LAMMPS *); - virtual ~PairSPHHeatConduction(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual double init_one(int, int); - virtual double single(int, int, int, int, double, double, double, double &); + ~PairSPHHeatConduction() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double **cut, **alpha; diff --git a/src/SPH/pair_sph_idealgas.h b/src/SPH/pair_sph_idealgas.h index ad185bcd25..a9c1e25b05 100644 --- a/src/SPH/pair_sph_idealgas.h +++ b/src/SPH/pair_sph_idealgas.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairSPHIdealGas : public Pair { public: PairSPHIdealGas(class LAMMPS *); - virtual ~PairSPHIdealGas(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual double init_one(int, int); - virtual double single(int, int, int, int, double, double, double, double &); + ~PairSPHIdealGas() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double **cut, **viscosity; diff --git a/src/SPH/pair_sph_lj.h b/src/SPH/pair_sph_lj.h index a934993805..7fe51ed39f 100644 --- a/src/SPH/pair_sph_lj.h +++ b/src/SPH/pair_sph_lj.h @@ -27,12 +27,12 @@ namespace LAMMPS_NS { class PairSPHLJ : public Pair { public: PairSPHLJ(class LAMMPS *); - virtual ~PairSPHLJ(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual double init_one(int, int); - virtual double single(int, int, int, int, double, double, double, double &); + ~PairSPHLJ() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; //double LJEOS(int); void LJEOS2(double, double, double, double *, double *); diff --git a/src/SPH/pair_sph_rhosum.h b/src/SPH/pair_sph_rhosum.h index 9874e6e2eb..f2021360ca 100644 --- a/src/SPH/pair_sph_rhosum.h +++ b/src/SPH/pair_sph_rhosum.h @@ -27,15 +27,15 @@ namespace LAMMPS_NS { class PairSPHRhoSum : public Pair { public: PairSPHRhoSum(class LAMMPS *); - virtual ~PairSPHRhoSum(); - void init_style(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual double init_one(int, int); - virtual double single(int, int, int, int, double, double, double, double &); - int pack_forward_comm(int, int *, double *, int, int *); - void unpack_forward_comm(int, int, double *); + ~PairSPHRhoSum() override; + void init_style() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + double single(int, int, int, int, double, double, double, double &) override; + int pack_forward_comm(int, int *, double *, int, int *) override; + void unpack_forward_comm(int, int, double *) override; protected: double **cut; diff --git a/src/SPH/pair_sph_taitwater.h b/src/SPH/pair_sph_taitwater.h index d162106691..40cda898b7 100644 --- a/src/SPH/pair_sph_taitwater.h +++ b/src/SPH/pair_sph_taitwater.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairSPHTaitwater : public Pair { public: PairSPHTaitwater(class LAMMPS *); - virtual ~PairSPHTaitwater(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual double init_one(int, int); + ~PairSPHTaitwater() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; protected: double *rho0, *soundspeed, *B; diff --git a/src/SPH/pair_sph_taitwater_morris.h b/src/SPH/pair_sph_taitwater_morris.h index 7c1d377319..1bd0153b5f 100644 --- a/src/SPH/pair_sph_taitwater_morris.h +++ b/src/SPH/pair_sph_taitwater_morris.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairSPHTaitwaterMorris : public Pair { public: PairSPHTaitwaterMorris(class LAMMPS *); - virtual ~PairSPHTaitwaterMorris(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual double init_one(int, int); + ~PairSPHTaitwaterMorris() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; protected: double *rho0, *soundspeed, *B; diff --git a/src/SPIN/pair_spin.h b/src/SPIN/pair_spin.h index a9341bcb71..598d114ebd 100644 --- a/src/SPIN/pair_spin.h +++ b/src/SPIN/pair_spin.h @@ -23,14 +23,14 @@ class PairSpin : public Pair { public: PairSpin(class LAMMPS *); - virtual ~PairSpin() = default; - virtual void settings(int, char **); - virtual void coeff(int, char **) {} - virtual void init_style(); - virtual double init_one(int, int) { return 0.0; } - virtual void *extract(const char *, int &) { return nullptr; } - virtual void compute(int, int) {} + void settings(int, char **) override; + void coeff(int, char **) override {} + void init_style() override; + double init_one(int, int) override { return 0.0; } + void *extract(const char *, int &) override { return nullptr; } + + void compute(int, int) override {} virtual void compute_single_pair(int, double *) {} // storing magnetic energies diff --git a/src/SPIN/pair_spin_dipole_cut.h b/src/SPIN/pair_spin_dipole_cut.h index abda4bb206..2fe443e71e 100644 --- a/src/SPIN/pair_spin_dipole_cut.h +++ b/src/SPIN/pair_spin_dipole_cut.h @@ -30,22 +30,22 @@ class PairSpinDipoleCut : public PairSpin { double **sigma; PairSpinDipoleCut(LAMMPS *); - virtual ~PairSpinDipoleCut(); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void *extract(const char *, int &); + ~PairSpinDipoleCut() override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void *extract(const char *, int &) override; - void compute(int, int); - void compute_single_pair(int, double *); + void compute(int, int) override; + void compute_single_pair(int, double *) override; void compute_dipolar(int, int, double *, double *, double *, double *, double); void compute_dipolar_mech(int, int, double *, double *, double *, double *, double); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; double cut_spin_long_global; // global long cutoff distance @@ -61,7 +61,7 @@ class PairSpinDipoleCut : public PairSpin { double g_ewald; int ewald_order; - void allocate(); + void allocate() override; }; } // namespace LAMMPS_NS diff --git a/src/SPIN/pair_spin_dipole_long.h b/src/SPIN/pair_spin_dipole_long.h index c70d23bdd5..7a0560f7d8 100644 --- a/src/SPIN/pair_spin_dipole_long.h +++ b/src/SPIN/pair_spin_dipole_long.h @@ -30,23 +30,23 @@ class PairSpinDipoleLong : public PairSpin { double **sigma; PairSpinDipoleLong(LAMMPS *); - virtual ~PairSpinDipoleLong(); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void *extract(const char *, int &); + ~PairSpinDipoleLong() override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void *extract(const char *, int &) override; - void compute(int, int); - void compute_single_pair(int, double *); + void compute(int, int) override; + void compute_single_pair(int, double *) override; void compute_long(int, int, double *, double *, double *, double *, double *); void compute_long_mech(int, int, double *, double *, double *, double *, double *); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; double cut_spin_long_global; // global long cutoff distance @@ -62,7 +62,7 @@ class PairSpinDipoleLong : public PairSpin { double g_ewald; int ewald_order; - void allocate(); + void allocate() override; }; } // namespace LAMMPS_NS diff --git a/src/SPIN/pair_spin_dmi.h b/src/SPIN/pair_spin_dmi.h index bdd02946af..9462afae58 100644 --- a/src/SPIN/pair_spin_dmi.h +++ b/src/SPIN/pair_spin_dmi.h @@ -27,22 +27,22 @@ namespace LAMMPS_NS { class PairSpinDmi : public PairSpin { public: PairSpinDmi(LAMMPS *lmp) : PairSpin(lmp) {} - virtual ~PairSpinDmi(); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void *extract(const char *, int &); + ~PairSpinDmi() override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void *extract(const char *, int &) override; - void compute(int, int); - void compute_single_pair(int, double *); + void compute(int, int) override; + void compute_single_pair(int, double *) override; void compute_dmi(int, int, double *, double *, double *); void compute_dmi_mech(int, int, double, double *, double *, double *, double *); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; double cut_spin_dmi_global; // short range pair cutoff @@ -52,7 +52,7 @@ class PairSpinDmi : public PairSpin { double **vmech_dmx, **vmech_dmy, **vmech_dmz; // dmi mech direction double **cut_spin_dmi; // cutoff distance dmi - void allocate(); + void allocate() override; }; } // namespace LAMMPS_NS diff --git a/src/SPIN/pair_spin_exchange.h b/src/SPIN/pair_spin_exchange.h index 0dd3d06fc5..485157d49e 100644 --- a/src/SPIN/pair_spin_exchange.h +++ b/src/SPIN/pair_spin_exchange.h @@ -27,23 +27,23 @@ namespace LAMMPS_NS { class PairSpinExchange : public PairSpin { public: PairSpinExchange(class LAMMPS *); - virtual ~PairSpinExchange(); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void *extract(const char *, int &); + ~PairSpinExchange() override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void *extract(const char *, int &) override; - void compute(int, int); - void compute_single_pair(int, double *); + void compute(int, int) override; + void compute_single_pair(int, double *) override; void compute_exchange(int, int, double, double *, double *); void compute_exchange_mech(int, int, double, double *, double *, double *, double *); double compute_energy(int, int, double, double *, double *); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; double cut_spin_exchange_global; // global exchange cutoff distance @@ -54,7 +54,7 @@ class PairSpinExchange : public PairSpin { double **J2, **J3; // J1 in eV, J2 adim, J3 in Ang double **cut_spin_exchange; // cutoff distance exchange - void allocate(); + void allocate() override; }; } // namespace LAMMPS_NS diff --git a/src/SPIN/pair_spin_exchange_biquadratic.h b/src/SPIN/pair_spin_exchange_biquadratic.h index ccfe874fff..0a0b7be5ba 100644 --- a/src/SPIN/pair_spin_exchange_biquadratic.h +++ b/src/SPIN/pair_spin_exchange_biquadratic.h @@ -27,23 +27,23 @@ namespace LAMMPS_NS { class PairSpinExchangeBiquadratic : public PairSpin { public: PairSpinExchangeBiquadratic(class LAMMPS *); - virtual ~PairSpinExchangeBiquadratic(); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void *extract(const char *, int &); + ~PairSpinExchangeBiquadratic() override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void *extract(const char *, int &) override; - void compute(int, int); - void compute_single_pair(int, double *); + void compute(int, int) override; + void compute_single_pair(int, double *) override; void compute_exchange(int, int, double, double *, double *, double *); void compute_exchange_mech(int, int, double, double *, double *, double *, double *); double compute_energy(int, int, double, double *, double *); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; double cut_spin_exchange_global; // global exchange cutoff distance @@ -57,7 +57,7 @@ class PairSpinExchangeBiquadratic : public PairSpin { double **K2, **K3; // K1 in eV, K2 Ang-1, K3 in Ang double **cut_spin_exchange; // cutoff distance exchange - void allocate(); + void allocate() override; }; } // namespace LAMMPS_NS diff --git a/src/SPIN/pair_spin_magelec.h b/src/SPIN/pair_spin_magelec.h index 08f60f5a02..ece4534d0b 100644 --- a/src/SPIN/pair_spin_magelec.h +++ b/src/SPIN/pair_spin_magelec.h @@ -27,22 +27,22 @@ namespace LAMMPS_NS { class PairSpinMagelec : public PairSpin { public: PairSpinMagelec(LAMMPS *lmp) : PairSpin(lmp) {} - virtual ~PairSpinMagelec(); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void *extract(const char *, int &); + ~PairSpinMagelec() override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void *extract(const char *, int &) override; - void compute(int, int); - void compute_single_pair(int, double *); + void compute(int, int) override; + void compute_single_pair(int, double *) override; void compute_magelec(int, int, double *, double *, double *); void compute_magelec_mech(int, int, double *, double *, double *); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; double cut_spin_magelec_global; // global me cutoff @@ -51,7 +51,7 @@ class PairSpinMagelec : public PairSpin { double **v_mex, **v_mey, **v_mez; // magelec direction double **cut_spin_magelec; // magelec cutoff distance - void allocate(); + void allocate() override; }; } // namespace LAMMPS_NS diff --git a/src/SPIN/pair_spin_neel.h b/src/SPIN/pair_spin_neel.h index 046171927e..192a6e5129 100644 --- a/src/SPIN/pair_spin_neel.h +++ b/src/SPIN/pair_spin_neel.h @@ -27,23 +27,23 @@ namespace LAMMPS_NS { class PairSpinNeel : public PairSpin { public: PairSpinNeel(LAMMPS *lmp) : PairSpin(lmp) {} - virtual ~PairSpinNeel(); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void *extract(const char *, int &); + ~PairSpinNeel() override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void *extract(const char *, int &) override; - void compute(int, int); - void compute_single_pair(int, double *); + void compute(int, int) override; + void compute_single_pair(int, double *) override; void compute_neel(int, int, double, double *, double *, double *, double *); void compute_neel_mech(int, int, double, double *, double *, double *, double *); double compute_neel_energy(int, int, double, double *, double *, double *); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; double cut_spin_neel_global; // global neel cutoff distance @@ -56,7 +56,7 @@ class PairSpinNeel : public PairSpin { double **q2, **q3; // q1 in eV, q2 adim, q3 in Ang double **cut_spin_neel; // cutoff distance exchange - void allocate(); + void allocate() override; }; } // namespace LAMMPS_NS diff --git a/src/YAFF/pair_lj_switch3_coulgauss_long.h b/src/YAFF/pair_lj_switch3_coulgauss_long.h index 10fd765f34..3591f4eeb1 100644 --- a/src/YAFF/pair_lj_switch3_coulgauss_long.h +++ b/src/YAFF/pair_lj_switch3_coulgauss_long.h @@ -28,21 +28,21 @@ class PairLJSwitch3CoulGaussLong : public Pair { public: PairLJSwitch3CoulGaussLong(class LAMMPS *); - virtual ~PairLJSwitch3CoulGaussLong(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); + ~PairLJSwitch3CoulGaussLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; - virtual void *extract(const char *, int &); + void *extract(const char *, int &) override; protected: double cut_lj_global; diff --git a/src/YAFF/pair_mm3_switch3_coulgauss_long.h b/src/YAFF/pair_mm3_switch3_coulgauss_long.h index 9dec102bee..14d16b8ec8 100644 --- a/src/YAFF/pair_mm3_switch3_coulgauss_long.h +++ b/src/YAFF/pair_mm3_switch3_coulgauss_long.h @@ -28,21 +28,21 @@ class PairMM3Switch3CoulGaussLong : public Pair { public: PairMM3Switch3CoulGaussLong(class LAMMPS *); - virtual ~PairMM3Switch3CoulGaussLong(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); + ~PairMM3Switch3CoulGaussLong() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; - virtual void *extract(const char *, int &); + void *extract(const char *, int &) override; protected: double cut_lj_global; diff --git a/src/compute_erotate_sphere.h b/src/compute_erotate_sphere.h index 3fb47afbe8..29906b852f 100644 --- a/src/compute_erotate_sphere.h +++ b/src/compute_erotate_sphere.h @@ -27,7 +27,7 @@ namespace LAMMPS_NS { class ComputeERotateSphere : public Compute { public: ComputeERotateSphere(class LAMMPS *, int, char **); - ~ComputeERotateSphere() override {} + void init() override; double compute_scalar() override; diff --git a/src/dump_deprecated.h b/src/dump_deprecated.h index 3e51f19dda..f8d0c58234 100644 --- a/src/dump_deprecated.h +++ b/src/dump_deprecated.h @@ -28,7 +28,7 @@ namespace LAMMPS_NS { class DumpDeprecated : public Dump { public: DumpDeprecated(class LAMMPS *, int, char **); - ~DumpDeprecated() override {} + void init_style() override {} void write_header(bigint) override {} void pack(tagint *) override {} diff --git a/src/file_writer.h b/src/file_writer.h index ff54371d2e..3b34fb1f17 100644 --- a/src/file_writer.h +++ b/src/file_writer.h @@ -39,8 +39,6 @@ class FileWriterException : public std::exception { public: FileWriterException(const std::string &msg) : message(msg) {} - ~FileWriterException() noexcept override {} - const char *what() const noexcept override { return message.c_str(); } }; diff --git a/src/pair_born.h b/src/pair_born.h index 32f633f069..491989ee5c 100644 --- a/src/pair_born.h +++ b/src/pair_born.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairBorn : public Pair { public: PairBorn(class LAMMPS *); - virtual ~PairBorn(); + ~PairBorn() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_global; diff --git a/src/pair_buck.h b/src/pair_buck.h index 2be7ebabe9..b972125b06 100644 --- a/src/pair_buck.h +++ b/src/pair_buck.h @@ -27,19 +27,19 @@ namespace LAMMPS_NS { class PairBuck : public Pair { public: PairBuck(class LAMMPS *); - virtual ~PairBuck(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairBuck() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_global; diff --git a/src/pair_buck_coul_cut.h b/src/pair_buck_coul_cut.h index b8a5178528..5cb128ad25 100644 --- a/src/pair_buck_coul_cut.h +++ b/src/pair_buck_coul_cut.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairBuckCoulCut : public Pair { public: PairBuckCoulCut(class LAMMPS *); - virtual ~PairBuckCoulCut(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairBuckCoulCut() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_lj_global, cut_coul_global; diff --git a/src/pair_coul_cut.h b/src/pair_coul_cut.h index 2d1f902e0f..f902ea735f 100644 --- a/src/pair_coul_cut.h +++ b/src/pair_coul_cut.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairCoulCut : public Pair { public: PairCoulCut(class LAMMPS *); - virtual ~PairCoulCut(); - virtual void compute(int, int); - virtual void settings(int, char **); - virtual void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - virtual void write_data(FILE *); - virtual void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + ~PairCoulCut() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_global; diff --git a/src/pair_coul_debye.h b/src/pair_coul_debye.h index cd10786d9f..917edef304 100644 --- a/src/pair_coul_debye.h +++ b/src/pair_coul_debye.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairCoulDebye : public PairCoulCut { public: PairCoulDebye(class LAMMPS *); - virtual void compute(int, int); - void settings(int, char **); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - double single(int, int, int, int, double, double, double, double &); + void compute(int, int) override; + void settings(int, char **) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double kappa; diff --git a/src/pair_coul_dsf.h b/src/pair_coul_dsf.h index afbc573220..1011bac5e4 100644 --- a/src/pair_coul_dsf.h +++ b/src/pair_coul_dsf.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairCoulDSF : public Pair { public: PairCoulDSF(class LAMMPS *); - ~PairCoulDSF(); - void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairCoulDSF() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_coul, cut_coulsq; diff --git a/src/pair_coul_wolf.h b/src/pair_coul_wolf.h index 1edb0deb31..508c74b21b 100644 --- a/src/pair_coul_wolf.h +++ b/src/pair_coul_wolf.h @@ -27,17 +27,17 @@ namespace LAMMPS_NS { class PairCoulWolf : public Pair { public: PairCoulWolf(class LAMMPS *); - virtual ~PairCoulWolf(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - double single(int, int, int, int, double, double, double, double &); + ~PairCoulWolf() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_coul, cut_coulsq, alf; diff --git a/src/pair_deprecated.h b/src/pair_deprecated.h index 36af2e0aa0..5468b01259 100644 --- a/src/pair_deprecated.h +++ b/src/pair_deprecated.h @@ -28,11 +28,10 @@ namespace LAMMPS_NS { class PairDeprecated : public Pair { public: PairDeprecated(class LAMMPS *lmp) : Pair(lmp) {} - virtual ~PairDeprecated() {} - virtual void compute(int, int) {} - virtual void settings(int, char **); - virtual void coeff(int, char **) {} + void compute(int, int) override {} + void settings(int, char **) override; + void coeff(int, char **) override {} }; } // namespace LAMMPS_NS diff --git a/src/pair_hybrid.h b/src/pair_hybrid.h index ab696e279c..ee56783700 100644 --- a/src/pair_hybrid.h +++ b/src/pair_hybrid.h @@ -39,31 +39,31 @@ class PairHybrid : public Pair { public: PairHybrid(class LAMMPS *); - virtual ~PairHybrid(); - virtual void compute(int, int); - virtual void settings(int, char **); - virtual void coeff(int, char **); - void init_style(); - double init_one(int, int); - void setup(); - virtual void write_restart(FILE *); - virtual void read_restart(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - void modify_params(int narg, char **arg); - double memory_usage(); + ~PairHybrid() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void setup() override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void modify_params(int narg, char **arg) override; + double memory_usage() override; - void compute_inner(); - void compute_middle(); - void compute_outer(int, int); - void *extract(const char *, int &); - void reset_dt(); + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; + void *extract(const char *, int &) override; + void reset_dt() override; int check_ijtype(int, int, char *); - virtual void add_tally_callback(class Compute *); - virtual void del_tally_callback(class Compute *); - double atom2cut(int); - double radii2cut(double, double); + void add_tally_callback(class Compute *) override; + void del_tally_callback(class Compute *) override; + double atom2cut(int) override; + double radii2cut(double, double) override; protected: int nstyles; // # of sub-styles diff --git a/src/pair_hybrid_overlay.h b/src/pair_hybrid_overlay.h index a35261ede0..13b70fa042 100644 --- a/src/pair_hybrid_overlay.h +++ b/src/pair_hybrid_overlay.h @@ -27,11 +27,11 @@ namespace LAMMPS_NS { class PairHybridOverlay : public PairHybrid { public: PairHybridOverlay(class LAMMPS *); - virtual ~PairHybridOverlay() {} - void coeff(int, char **); - void init_svector(); - void copy_svector(int, int); + void coeff(int, char **) override; + + void init_svector() override; + void copy_svector(int, int) override; }; } // namespace LAMMPS_NS diff --git a/src/pair_hybrid_scaled.h b/src/pair_hybrid_scaled.h index 12db39ae84..9bb8901846 100644 --- a/src/pair_hybrid_scaled.h +++ b/src/pair_hybrid_scaled.h @@ -30,17 +30,17 @@ namespace LAMMPS_NS { class PairHybridScaled : public PairHybrid { public: PairHybridScaled(class LAMMPS *); - virtual ~PairHybridScaled(); - virtual void compute(int, int); - virtual void settings(int, char **); - virtual void coeff(int, char **); + ~PairHybridScaled() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; - virtual void write_restart(FILE *); - virtual void read_restart(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); + void write_restart(FILE *) override; + void read_restart(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; - void init_svector(); - void copy_svector(int, int); + void init_svector() override; + void copy_svector(int, int) override; protected: double **fsum, **tsum; diff --git a/src/pair_lj_cut.h b/src/pair_lj_cut.h index 15b1d92175..8ca9a14620 100644 --- a/src/pair_lj_cut.h +++ b/src/pair_lj_cut.h @@ -27,24 +27,24 @@ namespace LAMMPS_NS { class PairLJCut : public Pair { public: PairLJCut(class LAMMPS *); - virtual ~PairLJCut(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairLJCut() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; - void compute_inner(); - void compute_middle(); - void compute_outer(int, int); + void compute_inner() override; + void compute_middle() override; + void compute_outer(int, int) override; protected: double cut_global; diff --git a/src/pair_lj_cut_coul_cut.h b/src/pair_lj_cut_coul_cut.h index e41d0ff20b..fd4cc22c28 100644 --- a/src/pair_lj_cut_coul_cut.h +++ b/src/pair_lj_cut_coul_cut.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairLJCutCoulCut : public Pair { public: PairLJCutCoulCut(class LAMMPS *); - virtual ~PairLJCutCoulCut(); - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - void init_style(); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + ~PairLJCutCoulCut() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_lj_global, cut_coul_global; diff --git a/src/pair_lj_expand.h b/src/pair_lj_expand.h index 0cf8323927..df31757ad0 100644 --- a/src/pair_lj_expand.h +++ b/src/pair_lj_expand.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairLJExpand : public Pair { public: PairLJExpand(class LAMMPS *); - virtual ~PairLJExpand(); + ~PairLJExpand() override; - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_global; diff --git a/src/pair_morse.h b/src/pair_morse.h index a85c47df8c..e1b9d4516c 100644 --- a/src/pair_morse.h +++ b/src/pair_morse.h @@ -27,20 +27,20 @@ namespace LAMMPS_NS { class PairMorse : public Pair { public: PairMorse(class LAMMPS *); - virtual ~PairMorse(); - virtual void compute(int, int); + ~PairMorse() override; + void compute(int, int) override; - virtual void settings(int, char **); - virtual void coeff(int, char **); - virtual double init_one(int, int); - virtual void write_restart(FILE *); - virtual void read_restart(FILE *); - virtual void write_restart_settings(FILE *); - virtual void read_restart_settings(FILE *); - virtual void write_data(FILE *); - virtual void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - virtual void *extract(const char *, int &); + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_global; diff --git a/src/pair_soft.h b/src/pair_soft.h index 1e024ec00c..c2e3044764 100644 --- a/src/pair_soft.h +++ b/src/pair_soft.h @@ -29,20 +29,20 @@ class PairSoft : public Pair { public: PairSoft(class LAMMPS *); - virtual ~PairSoft(); + ~PairSoft() override; - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; protected: double cut_global; diff --git a/src/pair_table.h b/src/pair_table.h index acfd75365e..87a2fbb055 100644 --- a/src/pair_table.h +++ b/src/pair_table.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairTable : public Pair { public: PairTable(class LAMMPS *); - virtual ~PairTable(); + ~PairTable() override; - virtual void compute(int, int); - virtual void settings(int, char **); - void coeff(int, char **); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); - void *extract(const char *, int &); + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; + void *extract(const char *, int &) override; enum { LOOKUP, LINEAR, SPLINE, BITMAP }; diff --git a/src/pair_yukawa.h b/src/pair_yukawa.h index 975bb3c2ac..bb50b42aab 100644 --- a/src/pair_yukawa.h +++ b/src/pair_yukawa.h @@ -27,18 +27,18 @@ namespace LAMMPS_NS { class PairYukawa : public Pair { public: PairYukawa(class LAMMPS *); - virtual ~PairYukawa(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - virtual double single(int, int, int, int, double, double, double, double &); + ~PairYukawa() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_global; diff --git a/src/pair_zbl.h b/src/pair_zbl.h index f9d6d92472..5927f8e751 100644 --- a/src/pair_zbl.h +++ b/src/pair_zbl.h @@ -27,19 +27,19 @@ namespace LAMMPS_NS { class PairZBL : public Pair { public: PairZBL(class LAMMPS *); - virtual ~PairZBL(); - virtual void compute(int, int); - void settings(int, char **); - void coeff(int, char **); - virtual void init_style(); - virtual double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); + ~PairZBL() override; + void compute(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + void init_style() override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_global, cut_inner; diff --git a/src/pair_zero.h b/src/pair_zero.h index 3d59fcbd1a..e94d301f4e 100644 --- a/src/pair_zero.h +++ b/src/pair_zero.h @@ -37,19 +37,19 @@ namespace LAMMPS_NS { class PairZero : public Pair { public: PairZero(class LAMMPS *); - virtual ~PairZero(); - virtual void compute(int, int); - virtual void compute_outer(int, int); - void settings(int, char **); - void coeff(int, char **); - double init_one(int, int); - void write_restart(FILE *); - void read_restart(FILE *); - void write_restart_settings(FILE *); - void read_restart_settings(FILE *); - void write_data(FILE *); - void write_data_all(FILE *); - double single(int, int, int, int, double, double, double, double &); + ~PairZero() override; + void compute(int, int) override; + void compute_outer(int, int) override; + void settings(int, char **) override; + void coeff(int, char **) override; + double init_one(int, int) override; + void write_restart(FILE *) override; + void read_restart(FILE *) override; + void write_restart_settings(FILE *) override; + void read_restart_settings(FILE *) override; + void write_data(FILE *) override; + void write_data_all(FILE *) override; + double single(int, int, int, int, double, double, double, double &) override; protected: double cut_global; diff --git a/src/reader.h b/src/reader.h index 6429cd40de..adc93c6d7c 100644 --- a/src/reader.h +++ b/src/reader.h @@ -23,7 +23,6 @@ namespace LAMMPS_NS { class Reader : protected Pointers { public: Reader(class LAMMPS *); - ~Reader() override {} virtual void settings(int, char **); diff --git a/src/region_deprecated.h b/src/region_deprecated.h index c8951eee45..6092328ad7 100644 --- a/src/region_deprecated.h +++ b/src/region_deprecated.h @@ -28,7 +28,7 @@ namespace LAMMPS_NS { class RegionDeprecated : public Region { public: RegionDeprecated(class LAMMPS *, int, char **); - ~RegionDeprecated() override {} + void init() override {} int inside(double, double, double) override { return 0; } int surface_interior(double *, double) override { return 0; } diff --git a/src/text_file_reader.h b/src/text_file_reader.h index 77c5abada5..e5a743580f 100644 --- a/src/text_file_reader.h +++ b/src/text_file_reader.h @@ -52,8 +52,6 @@ class FileReaderException : public std::exception { public: FileReaderException(const std::string &msg) : message(msg) {} - ~FileReaderException() noexcept override {} - const char *what() const noexcept override { return message.c_str(); } }; diff --git a/src/tokenizer.h b/src/tokenizer.h index 0b6d773aad..03afa59836 100644 --- a/src/tokenizer.h +++ b/src/tokenizer.h @@ -62,8 +62,6 @@ class TokenizerException : public std::exception { * \param token String of the token/word that caused the error */ explicit TokenizerException(const std::string &msg, const std::string &token); - ~TokenizerException() noexcept override {} - /** Retrieve message describing the thrown exception * \return string with error message */ const char *what() const noexcept override { return message.c_str(); }