Searched refs:compute_duidrj (Results 1 – 12 of 12) sorted by relevance
| /dports/science/lammps/lammps-stable_29Sep2021/src/ML-IAP/ |
| H A D | mliap_descriptor_snap.cpp | 164 snaptr->compute_duidrj(snaptr->rij[jj], snaptr->wj[jj], in compute_forces()
167 snaptr->compute_duidrj(snaptr->rij[jj], snaptr->wj[jj], in compute_forces()
238 snaptr->compute_duidrj(snaptr->rij[jj], snaptr->wj[jj], in compute_force_gradients()
241 snaptr->compute_duidrj(snaptr->rij[jj], snaptr->wj[jj], in compute_force_gradients()
311 snaptr->compute_duidrj(snaptr->rij[jj], snaptr->wj[jj], in compute_descriptor_gradients()
314 snaptr->compute_duidrj(snaptr->rij[jj], snaptr->wj[jj], in compute_descriptor_gradients()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/ML-SNAP/ |
| H A D | sna.h | 56 void compute_duidrj(double *, double, double, int, int);
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| H A D | pair_snap.cpp | 176 snaptr->compute_duidrj(snaptr->rij[jj], snaptr->wj[jj], in compute()
179 snaptr->compute_duidrj(snaptr->rij[jj], snaptr->wj[jj], in compute()
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| H A D | compute_snad_atom.cpp | 302 snaptr->compute_duidrj(snaptr->rij[jj], snaptr->wj[jj], in compute_peratom()
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| H A D | compute_snav_atom.cpp | 296 snaptr->compute_duidrj(snaptr->rij[jj], snaptr->wj[jj], in compute_peratom()
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| H A D | compute_snap.cpp | 346 snaptr->compute_duidrj(snaptr->rij[jj], snaptr->wj[jj], in compute_array()
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| H A D | sna.cpp | 954 void SNA::compute_duidrj(double* rij, double wj, double rcut, int jj, int jelem) in compute_duidrj() function in SNA
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/SNAP__MD_536750310735_000/ |
| H A D | SNA.hpp | 250 …void compute_duidrj(double const *const rij_in, double const wj_in, double const rcut, int const n…
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| H A D | SNAPImplementation.cpp | 2462 snap->compute_duidrj(rij_const, snap->wj[n], snap->rcutij[n], n); in Compute()
2939 snap->compute_duidrj(rij_const, snap->wj[n], snap->rcutij[n], n); in Compute()
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| H A D | SNA.cpp | 717 void SNA::compute_duidrj(double const *const rij_in, double const wj_in, double const rcut, int con… in compute_duidrj() function in SNA
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| /dports/science/py-kliff/kliff-0.3.0/kliff/descriptors/bispectrum/ |
| H A D | bispectrum.hpp | 232 void compute_duidrj(double const * rij_in,
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| H A D | bispectrum.cpp | 355 compute_duidrj(rij.data_1D(jj).data(), wj[jj], rcutij[jj]); in compute_B()
578 void Bispectrum::compute_duidrj(double const * rij_in, in compute_duidrj() function in Bispectrum
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