| /dports/science/rdkit/rdkit-Release_2021_03_5/External/YAeHMOP/Wrap/ |
| H A D | rdEHTTools.cpp | 103 PyObject *getCharges(EHTTools::EHTResults &self) { in getCharges() function
153 .def("GetAtomicCharges", getCharges, in wrap()
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| /dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/readers/more/ |
| H A D | MdTopReader.java | 76 getCharges(); in checkLine()
225 private void getCharges() throws Exception { in getCharges() method in MdTopReader
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| /dports/science/gromacs/gromacs-2021.4/api/nblib/ |
| H A D | topology.h | 97 std::vector<real> getCharges() const;
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| H A D | topology.cpp | 290 std::vector<real> Topology::getCharges() const in getCharges() function in nblib::Topology
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| H A D | gmxsetup.cpp | 325 system.topology().getCharges()); in setupGmxForceCalculator()
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| /dports/science/plumed/plumed2-2.7.2/src/core/ |
| H A D | MDAtoms.h | 97 virtual void getCharges(const std::vector<int>&index,std::vector<double>&c)const=0;
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| H A D | MDAtoms.cpp | 99 void getCharges(const vector<int>&index,vector<double>&) const override;
180 void MDAtomsTyped<T>::getCharges(const vector<int>&index,vector<double>&charges)const { in getCharges() function in PLMD::MDAtomsTyped
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| H A D | Atoms.cpp | 218 mdatoms->getCharges(gatindex,charges); in share()
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| /dports/games/powder/powder118_src/ |
| H A D | ai.cpp | 1122 if (mtype == MAGICTYPE_WAND && (item->getCharges() > 0)) in aiDoFleeMelee()
1408 else if (mtype == MAGICTYPE_WAND && item->getCharges() > 0 && in aiDoBattlePrep()
1728 else if (mtype == MAGICTYPE_WAND && (item->getCharges() > 0)) in aiDoHealSelf()
1872 if (item->getCharges() > 0) in aiDoFreezeMySquare()
1972 if (wand == WAND_POLYMORPH && item->getCharges() > 0) in aiDoStopStoningSelf()
2053 if (item->getCharges() > 0) in aiDoWandAttack()
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| H A D | item.h | 314 int getCharges() const;
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| H A D | action.cpp | 2963 min_range *= item->getCharges(); in actionEat()
2964 max_range *= item->getCharges(); in actionEat()
3783 if (item->getCharges()) in actionRead()
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| H A D | item.cpp | 2540 ITEM::getCharges() const in getCharges() function in ITEM
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| H A D | creature.cpp | 4452 if (!weapon->getCharges()) in receiveDamage()
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| /dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/include/cantera/cython/ |
| H A D | wrappers.h | 128 THERMO_1D(getCharges)
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| /dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/include/cantera/thermo/ |
| H A D | Phase.h | 470 void getCharges(double* charges) const;
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| /dports/science/jmol/jmol-14.32.7/src/org/jmol/scriptext/ |
| H A D | IsoExt.java | 120 boolean getCharges = false; in dipole()
137 getCharges = true; in dipole()
170 getCharges = true; in dipole()
183 getCharges = true; in dipole()
186 getCharges = true; in dipole()
242 if (getCharges) { in dipole()
246 getCharges = false; in dipole()
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| /dports/science/gromacs/gromacs-2021.4/api/nblib/tests/ |
| H A D | topology.cpp | 101 const std::vector<real>& test = watersTopology.getCharges(); in TEST()
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| /dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/src/thermo/ |
| H A D | Phase.cpp | 514 void Phase::getCharges(double* charges) const in getCharges() function in Cantera::Phase
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| /dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/src/clib/ |
| H A D | ct.cpp | 293 p.getCharges(sc); in thermo_getCharges()
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