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

/dports/science/xdrawchem/xdrawchem-a3f74c34eb09fa72ee16848ec6901049ca5309d5/xdrawchem/
H A Dbond.h144 double partial_charge; variable
H A Ddpoint.h68 double partial_charge; // + or -, should also set "color" above variable
/dports/science/py-pymol/pymol-open-source-2.4.0/modules/chempy/
H A D__init__.py67 partial_charge = 0.0 variable in Atom