| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/electronic_structure/ |
| H A D | boltztrap2.py | 66 def __init__(self, obj, structure=None, nelect=None): argument
193 def __init__(self, bs_obj, structure=None, nelect=None, mommat=None, magmom=None): argument
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/command_line/ |
| H A D | bader_caller.py | 280 def get_charge_transfer(self, atom_index, nelect=None): argument
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/CPV/src/ |
| H A D | pres_ai_mod.f90 | 23 real(dp) :: Surf_t, dthr, volclu, surfclu, n_ele, nelect variable
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| /dports/science/py-abipy/abipy-0.9.0/abipy/electrons/ |
| H A D | ebands.py | 413 nelect=None, has_timerev=True, nspinor=1, nspden=None, line_mode=True): argument
469 def __init__(self, structure, kpoints, eigens, fermie, occfacts, nelect, nspinor, nspden, argument
655 def set_fermie_from_edos(self, edos, nelect=None): argument
769 def empty_with_ibz(cls, ngkpt, structure, fermie, nelect, nsppol, nspinor, nspden, mband, argument
1100 def from_pymatgen(cls, pmg_bands, nelect, weights=None, has_timerev=True, argument
3311 def __init__(self, mesh, spin_dos, nelect, fermie=None, spin_idos=None): argument
3448 def find_mu(self, nelect, spin=None): argument
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| /dports/science/py-abipy/abipy-0.9.0/abipy/core/ |
| H A D | skw.py | 725 def __init__(self, lpratio, kpts, eigens, fermie, nelect, cell, symrel, has_timrev, argument
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| H A D | mixins.py | 318 def nelect(self): member in Has_ElectronBands
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| /dports/science/siesta/siesta-4.1.5/Util/Macroave/Src/ |
| H A D | defs_common.f90 | 144 & mditemp,mdwall,nelect,noseinert,plasfrq,qptnrm,sciss,strfact,strprecon,& component
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/vasp/ |
| H A D | sets.py | 617 def nelect(self) -> float: member in DictSet
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| H A D | outputs.py | 5529 def nelect(self): member in Waveder
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| /dports/science/berkeleygw/BGW-2.0.0/MeanField/ABINIT/ |
| H A D | read_abi.f90 | 395 real(DP) :: charge,residm,etotal,nelect local
|