Searched refs:_make_dR_dao_w (Results 1 – 3 of 3) sorted by relevance
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/hessian/ |
H A D | uks.py | 355 aow = rks_grad._make_dR_dao_w(ao, wva) 357 aow = rks_grad._make_dR_dao_w(ao, wvb) 371 aow = rks_grad._make_dR_dao_w(ao, wva[0]) 373 aow = rks_grad._make_dR_dao_w(ao, wva[1]) 375 aow = rks_grad._make_dR_dao_w(ao, wva[2]) 380 aow = rks_grad._make_dR_dao_w(ao, wvb[0]) 382 aow = rks_grad._make_dR_dao_w(ao, wvb[1]) 384 aow = rks_grad._make_dR_dao_w(ao, wvb[2])
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H A D | rks.py | 330 aow = rks_grad._make_dR_dao_w(ao, wv) 341 aow = rks_grad._make_dR_dao_w(ao, wv[0]) 343 aow = rks_grad._make_dR_dao_w(ao, wv[1]) 345 aow = rks_grad._make_dR_dao_w(ao, wv[2])
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/grad/ |
H A D | rks.py | 123 def _make_dR_dao_w(ao, wv): function 153 aow = _make_dR_dao_w(ao, wv)
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