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Searched defs:get_bond_length (Results 1 – 3 of 3) sorted by relevance

/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/
H A Dbonds.py189 def get_bond_length(sp1, sp2, bond_order: float = 1): function
/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/
H A Dvsite_parm.cpp347 static real get_bond_length(gmx::ArrayRef<const VsiteBondedInteraction> bonds, t_iatom ai, t_iatom … in get_bond_length() function
/dports/science/luscus/luscus_0.8.6/
H A Dgv_geom.c251 double get_bond_length(int at1, int at2) in get_bond_length() function