| /dports/science/py-abipy/abipy-0.9.0/abipy/wannier90/ |
| H A D | win.py | 80 new.set_kpath()
192 def set_kpath(self, bands_num_points=100, qptbounds=None): member in Wannier90Input
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| /dports/science/py-abipy/abipy-0.9.0/abipy/examples/flows/ |
| H A D | run_si_ebands.py | 47 multi[1].set_kpath(ndivsm=6, kptbounds=kptbounds)
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| H A D | run_from_files.py | 46 multi[1].set_kpath(ndivsm=6, kptbounds=kptbounds)
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| H A D | run_fe_ebands.py | 43 multi[1].set_kpath(ndivsm=4)
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| H A D | run_gaas_ebands_soc.py | 72 multi[1].set_kpath(ndivsm=10, kptbounds=kptbounds)
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| H A D | run_mgb2_edoses.py | 37 multi[1].set_kpath(ndivsm=6)
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| H A D | run_optic.py | 46 multi[1].set_kpath(ndivsm=10)
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| H A D | run_phfrozen_ebands.py | 44 multi[1].set_kpath(ndivsm=6, kptbounds=kptbounds)
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| H A D | run_ldaus.py | 59 multi[1].set_kpath(ndivsm=6)
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| H A D | run_relax_and_ebands.py | 103 multi[1].set_kpath(ndivsm=6, kptbounds=kptbounds)
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| /dports/science/py-abipy/abipy-0.9.0/abipy/data/refs/gaas_optic/ |
| H A D | _runflow.py | 41 multi[1].set_kpath(ndivsm=10)
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| /dports/science/py-abipy/abipy-0.9.0/abipy/examples/flows/develop/ |
| H A D | run_wyckoff.py | 85 multi[1].set_kpath(ndivsm=8)
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| H A D | run_gwsoc.py | 89 multi[1].set_kpath(ndivsm=10)
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| /dports/science/py-abipy/abipy-0.9.0/abipy/data/refs/diamond_fullbz_sigeph/ |
| H A D | _runflow.py | 61 nscf_kpath_inp.set_kpath(ndivsm=10)
|
| /dports/science/py-abipy/abipy-0.9.0/abipy/data/refs/diamond_sigeph/ |
| H A D | _runflow.py | 61 nscf_kpath_inp.set_kpath(ndivsm=10)
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| /dports/science/py-abipy/abipy-0.9.0/abipy/integration_tests/ |
| H A D | itest_flows_from_files.py | 41 multi[1].set_kpath(ndivsm=6, kptbounds=kptbounds)
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| H A D | itest_scheduler.py | 36 multi[1].set_kpath(ndivsm=2, kptbounds=kptbounds)
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| H A D | itest_ebands.py | 51 multi[1].set_kpath(ndivsm=2, kptbounds=kptbounds)
422 multi[1].set_kpath(ndivsm=2)
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| /dports/science/py-abipy/abipy-0.9.0/abipy/scripts/ |
| H A D | abicheck.py | 163 multi[1].set_kpath(ndivsm=6, kptbounds=kptbounds)
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| /dports/science/py-abipy/abipy-0.9.0/abipy/flowtk/tests/ |
| H A D | test_flows.py | 291 multi[1].set_kpath(ndivsm=6, kptbounds=kptbounds)
|
| /dports/science/py-abipy/abipy-0.9.0/abipy/scripts/tests/ |
| H A D | test_scripts.py | 419 multi[1].set_kpath(ndivsm=6, kptbounds=kptbounds)
|
| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/abinit/ |
| H A D | inputs.py | 934 def set_kpath(self, ndivsm, kptbounds=None, iscf=-2): member in BasicAbinitInput
|
| /dports/science/py-abipy/abipy-0.9.0/abipy/abio/tests/ |
| H A D | test_inputs.py | 200 inp.set_kpath(ndivsm=3, kptbounds=None)
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| /dports/science/py-abipy/abipy-0.9.0/abipy/core/ |
| H A D | structure.py | 1971 win.set_kpath()
|
| /dports/science/py-abipy/abipy-0.9.0/abipy/abio/ |
| H A D | inputs.py | 825 def set_kpath(self, ndivsm, kptbounds=None, iscf=-2): member in AbinitInput
|