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OpenRDM
An open-source library for reduced-density matrix-based analysis and computation
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OpenRDM
An open-source library for reduced-density matrix-based analysis and computation
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#include "psi4/psi4-dec.h"#include <psi4/psifiles.h>#include <psi4/libiwl/iwl.h>#include <psi4/libpsio/psio.hpp>#include <psi4/libtrans/integraltransform.h>#include <psi4/libmints/vector.h>#include <psi4/libpsi4util/PsiOutStream.h>#include <fstream>#include <iostream>#include <iomanip>#include "mcpdft_solver.h"Namespaces | |
| psi | |
| psi::mcpdft | |