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Searched defs:nuc_charge (Results 1 – 7 of 7) sorted by relevance

/dports/science/py-pyscf/pyscf-2.0.1/pyscf/gto/
H A Dmole.py3712 def dyall_nuc_mod(nuc_charge, nucprop={}): argument
3723 def filatov_nuc_mod(nuc_charge, nucprop={}): argument
/dports/science/gromacs/gromacs-2021.4/src/external/vmd_molfile/
H A Dmolfile_plugin.h353 double *nuc_charge; /**< array(natom) containing the nuclear charge of atom i */ member
/dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/include/
H A Dmolfile_plugin.h364 double *nuc_charge; /**< array(natom) containing the nuclear charge of atom i */ member
/dports/science/py-rmf/rmf-1.3.1/plugins/vmd/include/
H A Dmolfile_plugin.h311 nuc_charge; /**< array(natom) containing the nuclear charge of atom i */ member
/dports/science/lammps/lammps-stable_29Sep2021/lib/molfile/
H A Dmolfile_plugin.h409 double *nuc_charge; /**< array(natom) containing the nuclear charge of atom i */ member
/dports/science/plumed/plumed2-2.7.2/src/molfile/
H A Dmolfile_plugin.h405 double *nuc_charge; /**< array(natom) containing the nuclear charge of atom i */ member
/dports/science/rmf/rmf-1.3.1/plugins/vmd/include/
H A Dmolfile_plugin.h311 nuc_charge; /**< array(natom) containing the nuclear charge of atom i */ member