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Searched refs:r2OO (Results 1 – 5 of 5) sorted by relevance

/dports/science/lammps/lammps-stable_29Sep2021/src/SMTBQ/
H A Dpair_smtbq.h50 double abuck, rhobuck, neig_cut, aOO, bOO, r1OO, r2OO; member
H A Dpair_smtbq.cpp599 intparams[m].r1OO = atof(words[3]) ;intparams[m].r2OO = atof(words[4]) ; in read_file()
601 intparams[m].bOO,intparams[m].r1OO,intparams[m].r2OO); in read_file()
1795 double r2OO = intparam->r2OO ; in Attr_OO() local
1799 eng = aOO * tmp_exp* fcoupure(r,r1OO,r2OO); in Attr_OO()
1801 …fforce = - (aOO*bOO * tmp_exp * fcoupure(r,r1OO,r2OO)+ aOO*tmp_exp *fcoupured(r,r1OO,r2OO))/ r ; /… in Attr_OO()
/dports/science/lammps/lammps-stable_29Sep2021/potentials/
H A Dffield.smtbq.TiO226 ' Potential.O-O...(D.B.r1OO.r2OO).:' -20.86 -0.916 1.4 1.8
/dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/smtbq/
H A Dffield.smtbq.TiO226 ' Potential.O-O...(D.B.r1OO.r2OO).:' -20.86 -0.916 1.4 1.8
/dports/science/openkim-models/openkim-models-2021-01-28/simulator-models/Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_TiO__SM_349577644423_000/
H A Dffield.smtbq.TiO226 ' Potential.O-O...(D.B.r1OO.r2OO).:' -20.86 -0.916 1.4 1.8