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Searched defs:getCharges (Results 1 – 6 of 6) sorted by relevance

/dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/readers/more/
H A DMdTopReader.java225 private void getCharges() throws Exception { in getCharges() method in MdTopReader
/dports/science/rdkit/rdkit-Release_2021_03_5/External/YAeHMOP/Wrap/
H A DrdEHTTools.cpp103 PyObject *getCharges(EHTTools::EHTResults &self) { in getCharges() function
/dports/science/gromacs/gromacs-2021.4/api/nblib/
H A Dtopology.cpp290 std::vector<real> Topology::getCharges() const in getCharges() function in nblib::Topology
/dports/science/plumed/plumed2-2.7.2/src/core/
H A DMDAtoms.cpp180 void MDAtomsTyped<T>::getCharges(const vector<int>&index,vector<double>&charges)const { in getCharges() function in PLMD::MDAtomsTyped
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/src/thermo/
H A DPhase.cpp514 void Phase::getCharges(double* charges) const in getCharges() function in Cantera::Phase
/dports/games/powder/powder118_src/
H A Ditem.cpp2540 ITEM::getCharges() const in getCharges() function in ITEM