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Exposing Fa_subset and Fb_subset functions to python

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Timo Strunk Timo Strunk
Timo Strunk authored and Timo Strunk committed Aug 7, 2018
1 parent a34e04f commit d9bf860683dbc4e8e938c6fae06627b227fb2795
Showing with 2 additions and 0 deletions.
  1. +2 −0 psi4/src/export_wavefunction.cc
@@ -97,7 +97,9 @@ void export_wavefunction(py::module& m) {
.def("Cb_subset", &Wavefunction::Cb_subset, py::return_value_policy::take_ownership,
"Returns the requested Beta Orbital subset.")
.def("Fa", &Wavefunction::Fa, "Returns the Alpha Fock Matrix.")
.def("Fa_subset", &Wavefunction::Fa_subset, "Returns the Alpha Fock Matrix in the requested basis (AO,SO).")
.def("Fb", &Wavefunction::Fb, "Returns the Beta Fock Matrix.")
.def("Fb_subset", &Wavefunction::Fb_subset, "Returns the Beta Fock Matrix in the requested basis (AO,SO).")
.def("Da", &Wavefunction::Da, "Returns the Alpha Density Matrix.")
.def("Db", &Wavefunction::Db, "Returns the Beta Density Matrix.")
.def("Da_subset", &Wavefunction::Da_subset, py::return_value_policy::take_ownership,

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