fetch from origin #120
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fetch from origin #120
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…nt (#978) * Fix ListOp treatment of exp_i and make SummedOp combo_fn more efficient. * Fix typo.
* fix recursive optimization * Update recursive_minimum_eigen_optimizer.py Co-authored-by: Manoel Marques <manoel@us.ibm.com> Co-authored-by: Julien Gacon <jules.gacon@googlemail.com>
A FCIDump's header may end with `/` or `&END` (https://hande.readthedocs.io/en/latest/manual/integrals.html#fcidump-format). Since PySCF v1.7.2 (pyscf/pyscf@2675459#diff-e3c4e82f238e6aa6add8d26b42ce1363) the end must be `&END`. Thus we introduce this fix to comply with their FCIDump parser.
* Update readme
* fast operator grouping with numpy * add a trick for networkx * remove unnecessary "[]" * fix comments * (wip) add test_abelian_grouper.py * implement a fast pass of grouping * fix lint * implement a numpy-based coloring * move abelian groupter tests * simplify * move abelian groupter tests to a separete file * replace assert with assertTrue * Fix lint Co-authored-by: Manoel Marques <manoel@us.ibm.com> Co-authored-by: Julien Gacon <jules.gacon@googlemail.com> Co-authored-by: Donny Greenberg <dongreenberg2@gmail.com> Co-authored-by: Steve Wood <40241007+woodsp-ibm@users.noreply.github.com>
Co-authored-by: Manoel Marques <manoel@us.ibm.com>
* Replace algorithm result eigvecs by eingenstate * remove return type from docstring
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