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Searched refs:phirar3 (Results 1 – 8 of 8) sorted by relevance

/dports/science/lammps/lammps-stable_29Sep2021/src/MEAM/
H A Dmeam_impl.cpp30 phir = phirar = phirar1 = phirar2 = phirar3 = phirar4 = phirar5 = phirar6 = nullptr; in MEAM()
59 memory->destroy(this->phirar3); in ~MEAM()
H A Dmeam_setup_done.cpp194 if (this->phirar3 != nullptr) in compute_pair_meam()
195 memory->destroy(this->phirar3); in compute_pair_meam()
211 …memory->create(this->phirar3, (this->neltypes * (this->neltypes + 1)) / 2, this->nr, "pair:phirar3… in compute_pair_meam()
881 this->phirar3[ind][j] = this->phirar1[ind][j] + this->phirar1[ind][j + 1] - in interpolate_meam()
885 this->phirar3[ind][this->nrar - 1] = 0.0; in interpolate_meam()
890 this->phirar6[ind][j] = 3.0 * this->phirar3[ind][j] / drar; in interpolate_meam()
H A Dmeam.h101 double **phirar, **phirar1, **phirar2, **phirar3, **phirar4, **phirar5, **phirar6; variable
H A Dmeam_force.cpp100 …phi = ((this->phirar3[ind][kk] * pp + this->phirar2[ind][kk]) * pp + this->phirar1[ind][kk]) * pp … in meam_force()
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/meam/
H A Dmeam_cleanup.F20 deallocate(phirar3,STAT=dealloc_error)
H A Dmeam_data.F70 $ phirar3(:,:),phirar4(:,:),phirar5(:,:),phirar6(:,:)
H A Dmeam_setup_done.F194 allocate(phirar3(nr,(neltypes*(neltypes+1))/2))
985 phirar3(j,ind) = phirar1(j,ind) + phirar1(j+1,ind) -
989 phirar3(nrar,ind) = 0.0D0
994 phirar6(j,ind) = 3.0D0*phirar3(j,ind)/drar
1015 compute_phi = ((phirar3(kk,ind)*pp + phirar2(kk,ind))*pp
H A Dmeam_force.F126 phi = ((phirar3(kk,ind)*pp + phirar2(kk,ind))*pp