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Searched refs:EnergyArray (Results 1 – 7 of 7) sorted by relevance

/dports/science/wannier90/wannier90-3.1.0/src/postw90/
H A Ddos.F90530 binwidth = EnergyArray(2) - EnergyArray(1)
552 min_f = max(nint((eig_k(i) - EnergyArray(1))/ &
553 (EnergyArray(size(EnergyArray)) - EnergyArray(1)) &
555 max_f = min(nint((eig_k(i) - EnergyArray(1))/ &
556 (EnergyArray(size(EnergyArray)) - EnergyArray(1)) &
557 *real(size(EnergyArray) - 1, kind=dp)) + 1, size(EnergyArray))
561 (EnergyArray(size(EnergyArray)) - EnergyArray(1)) &
564 (EnergyArray(size(EnergyArray)) - EnergyArray(1)) &
565 *real(size(EnergyArray) - 1, kind=dp)) + 1, size(EnergyArray))
572 arg = (EnergyArray(loop_f) - eig_k(i))/eta_smr
[all …]
H A Dboltzwann.F901021 binwidth = EnergyArray(2) - EnergyArray(1)
1040 min_f = max(nint((eig_k(BandIdx) - EnergyArray(1))/ &
1041 (EnergyArray(size(EnergyArray)) - EnergyArray(1)) &
1043 max_f = min(nint((eig_k(BandIdx) - EnergyArray(1))/ &
1044 (EnergyArray(size(EnergyArray)) - EnergyArray(1)) &
1045 *real(size(EnergyArray) - 1, kind=dp)) + 1, size(EnergyArray))
1049 (EnergyArray(size(EnergyArray)) - EnergyArray(1)) &
1052 (EnergyArray(size(EnergyArray)) - EnergyArray(1)) &
1053 *real(size(EnergyArray) - 1, kind=dp)) + 1, size(EnergyArray))
1059 arg = (EnergyArray(loop_f) - eig_k(BandIdx))/smear
[all …]
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/tests/
H A Dtest_units.py11 EnergyArray,
170 a = EnergyArray(1.1, "eV")
173 c = EnergyArray(3.14, "J")
177 d = EnergyArray(1, "Ha")
206 ene_ha = EnergyArray([1, 2], "Ha")
207 ene_ev = EnergyArray([1, 2], "eV")
253 e = EnergyArray([27.21138386, 1], "eV").to("Ha")
/dports/science/py-abipy/abipy-0.9.0/abipy/iotools/
H A Dxsf.py6 from pymatgen.core.units import Energy, EnergyArray #, ArrayWithUnit
179 ucdata_sbk = EnergyArray(ucdata_sbk, unit).to("Ha")
/dports/science/py-abipy/abipy-0.9.0/abipy/dynamics/
H A Dhist.py786 etotals=units.EnergyArray(self.read_value("etotal"), "Ha").to(unit),
787 kinetic_terms=units.EnergyArray(self.read_value("ekin"), "Ha").to(unit),
788 entropies=units.EnergyArray(self.read_value("entropy"), "Ha").to(unit),
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/
H A Dunits.py712 EnergyArray = partial(ArrayWithUnit, unit_type="energy") variable
/dports/science/py-abipy/abipy-0.9.0/abipy/flowtk/
H A Dworks.py18 from pymatgen.core.units import EnergyArray
884 return EnergyArray(etotals, "Ha").to(unit)