| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
| H A D | pair.h | 151 void ev_tally3(int, int, int, double, double,
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| H A D | pair.cpp | 1080 void Pair::ev_tally3(int i, int j, int k, double evdwl, double ecoul, in ev_tally3() function in Pair
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| /dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
| H A D | pair_vashishta_kokkos.h | 92 void ev_tally3(EV_FLOAT &ev, const int &i, const int &j, int &k,
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| H A D | pair_sw_kokkos.h | 92 void ev_tally3(EV_FLOAT &ev, const int &i, const int &j, int &k,
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| H A D | pair_sw_kokkos.cpp | 357 …if (vflag_either || eflag_atom) this->template ev_tally3<NEIGHFLAG>(ev,i,j,k,evdwl,0.0,fj,fk,delr1… in operator ()()
469 …if (vflag_either || eflag_atom) this->template ev_tally3<NEIGHFLAG>(ev,i,j,k,evdwl,0.0,fj,fk,delr1… in operator ()()
871 void PairSWKokkos<DeviceType>::ev_tally3(EV_FLOAT &ev, const int &i, const int &j, int &k, in ev_tally3() function in PairSWKokkos
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| H A D | pair_vashishta_kokkos.cpp | 343 …if (vflag_either || eflag_atom) this->template ev_tally3<NEIGHFLAG>(ev,i,j,k,evdwl,0.0,fj,fk,delr1… in operator ()()
449 …if (vflag_either || eflag_atom) this->template ev_tally3<NEIGHFLAG>(ev,i,j,k,evdwl,0.0,fj,fk,delr1… in operator ()()
850 void PairVashishtaKokkos<DeviceType>::ev_tally3(EV_FLOAT &ev, const int &i, const int &j, int &k, in ev_tally3() function in PairVashishtaKokkos
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| /dports/science/lammps/lammps-stable_29Sep2021/src/ |
| H A D | pair.h | 142 void ev_tally3(int, int, int, double, double, double *, double *, double *, double *);
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| H A D | pair.cpp | 1289 void Pair::ev_tally3(int i, int j, int k, double evdwl, double ecoul, in ev_tally3() function in Pair
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| /dports/science/lammps/lammps-stable_29Sep2021/src/REAXFF/ |
| H A D | reaxff_hydrogen_bonds.cpp | 153 system->pair_ptr->ev_tally3(i,j,k,e_hb,0.0,fi_tmp,fk_tmp,delij,delkj); in Hydrogen_Bonds()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MANYBODY/ |
| H A D | pair_vashishta_table.cpp | 179 if (evflag) ev_tally3(i,j,k,evdwl,0.0,fj,fk,delr1,delr2); in compute()
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| H A D | pair_nb3b_harmonic.cpp | 145 if (evflag) ev_tally3(i,j,k,evdwl,0.0,fj,fk,delr1,delr2); in compute()
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| H A D | pair_atm.cpp | 175 if (evflag) ev_tally3(i,j,k,evdwl,0.0,fj,fk,rij,rik); in compute()
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| H A D | pair_sw.cpp | 203 if (evflag) ev_tally3(i,j,k,evdwl,0.0,fj,fk,delr1,delr2); in compute()
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| H A D | pair_edip_multi.cpp | 306 if (evflag) ev_tally3(i,j,k,evdwl,0.0,f_ij,f_ik,dr_ij,dr_ik); in compute()
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| H A D | pair_vashishta.cpp | 209 if (evflag) ev_tally3(i,j,k,evdwl,0.0,fj,fk,delr1,delr2); in compute()
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| H A D | pair_meam_sw_spline.cpp | 273 ev_tally3(i, j, k, 0.0, 0.0, fj, fk, delta_ij, delta_ik); in compute()
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| H A D | pair_meam_spline.cpp | 259 ev_tally3(i, j, k, 0.0, 0.0, fj, fk, delta_ij, delta_ik); in compute()
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| H A D | pair_edip.cpp | 425 if (evflag) ev_tally3(i, j, k, evdwl, 0.0, f_ij, f_ik, dr_ij, dr_ik); in compute()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MOLECULE/ |
| H A D | pair_hbond_dreiding_morse.cpp | 220 if (evflag) ev_tally3(k,i,j,evdwl,0.0,fi,fj,delr1,delr2); in compute()
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| H A D | pair_hbond_dreiding_lj.cpp | 253 if (evflag) ev_tally3(k,i,j,evdwl,0.0,fi,fj,delr1,delr2); in compute()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MGPT/ |
| H A D | pair_mgpt.cpp | 1233 ev_tally3(i,j,k,de_triplet,0.0,fj,fk,drji,drki); in compute_x()
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