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Merge pull request #1157 from andysim/dfep2
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fmt: clang-format DFEP2 module
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andysim committed Aug 31, 2018
2 parents 7961cf9 + 1d57fbc commit 7e2b755
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Showing 2 changed files with 6 additions and 7 deletions.
6 changes: 3 additions & 3 deletions psi4/src/psi4/dfep2/dfep2.cc
Expand Up @@ -200,7 +200,7 @@ std::vector<std::vector<std::pair<double, double>>> DFEP2Wavefunction::compute(

// safety check
dfh_->clear_spaces();

// add spaces
dfh_->add_space("i", AO_Cocc_);
dfh_->add_space("a", AO_Cvir_);
Expand Down Expand Up @@ -505,5 +505,5 @@ std::vector<std::vector<std::pair<double, double>>> DFEP2Wavefunction::compute(

return ret;
}
}
}
} // namespace dfep2
} // namespace psi
7 changes: 3 additions & 4 deletions psi4/src/psi4/dfep2/dfep2.h
Expand Up @@ -40,7 +40,6 @@ namespace dfep2 {

class DFEP2Wavefunction : public Wavefunction {
protected:

// Auxiliary basis
std::shared_ptr<BasisSet> ribasis_;

Expand All @@ -62,15 +61,15 @@ class DFEP2Wavefunction : public Wavefunction {
size_t unit_;
size_t num_threads_;


public:
DFEP2Wavefunction(std::shared_ptr<Wavefunction> wfn);

// Compute the current set of orbitals, [[h1_orb, h1_orb], [h2_orb, ...]]
// Return [[(value1, conv1), ...], ...]
std::vector<std::vector<std::pair<double, double>>> compute(std::vector<std::vector<size_t>> solve_orbs);
}; // End DFEP2
}; // End DFEP2

}}
} // namespace dfep2
} // namespace psi

#endif

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