Searched defs:P_aqMi (Results 1 – 5 of 5) sorted by relevance
| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/lcao/ |
| H A D | atomic_correction.py | 45 def __init__(self, P_aqMi, dS_aii, Mstart, Mstop): argument
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| H A D | projected_wannier.py | 161 def convert_projection_data(symbols, V_qnM, H_qMM, S_qMM, P_aqMi, argument
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| H A D | tci.py | 246 def P_aqMi(self, my_atom_indices, derivative=False): member in ManyTCICalculator
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| H A D | pwf2.py | 29 def get_lcao_xc(calc, P_aqMi, bfs=None, spin=0): argument
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| H A D | overlap.py | 842 def evaluate(self, spos_ac, Theta_qMM, T_qMM, P_aqMi): argument
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