Searched refs:expand_etbs (Results 1 – 6 of 6) sorted by relevance
| /dports/science/py-pyscf/pyscf-2.0.1/examples/tools/ |
| H A D | 02-molden.py | 57 basis = {'He': gto.expand_etbs(((0, 3, 1., 2.), (5, 2, 1., 2.)))})
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| /dports/science/py-pyscf/pyscf-2.0.1/examples/pbc/ |
| H A D | 35-gaussian_density_fit.py | 74 mol_gto.expand_etbs([(0, 25, 0.15, 1.6), # 25s
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| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/gto/test/ |
| H A D | test_tao.py | 29 mol.basis['N'].extend(gto.mole.expand_etbs(((0, 4, 1, 1.8),
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| H A D | test_mole.py | 333 'O': mol.expand_etbs([(0, 4, 1.5, 2.2), # s-function
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| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/df/ |
| H A D | addons.py | 135 newbasis[symb] = gto.expand_etbs(etb)
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| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/gto/ |
| H A D | mole.py | 617 def expand_etbs(etbs): function
632 etbs = expand_etbs
2474 @lib.with_doc(expand_etbs.__doc__)
2475 def expand_etbs(self, etbs): member in Mole
2476 return expand_etbs(etbs)
2477 etbs = expand_etbs
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