Searched refs:cg_sym (Results 1 – 1 of 1) sorted by relevance
| /dports/science/qmcpack/qmcpack-3.11.0/src/Numerics/tests/ |
| H A D | gen_gto.py | 129 cg_sym = Sum(norm2[i]*c[i]*gto.subs(Symbol('alpha'),alpha2[i]),(i,1,N_basis))
130 return cg_sym,norm,norm2,c,alpha2,N_basis
132 def eval_sym(cg_sym, norm, norm2, N_basis, c, alpha2, h_basis): argument
133 cg_unroll = cg_sym.subs(N_basis, h_basis.nbasis).doit()
143 cg_sym, norm, norm2, c, alpha2, N_basis = create_sym(ijk)
145 cg = eval_sym(cg_sym, norm, norm2, N_basis, c, alpha2, h_basis)
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