solvated_procedure.h File Reference

#include <fmt/core.h>
#include <occ/dft/dft.h>
#include <occ/driver/method_parser.h>
#include <occ/gto/gto.h>
#include <occ/qm/hf.h>
#include <occ/solvent/solvation_correction.h>
#include <stdexcept>
#include <string>
#include <utility>

Include dependency graph for solvated_procedure.h:

Namespaces
namespace	occ
namespace	occ::driver

Functions
template<typename Run , typename... SolvationArgs>
decltype(auto)	occ::driver::with_solvated_procedure (const std::string &method, const occ::gto::AOBasis &basis, Run &&run, SolvationArgs &&...solvation_args)
	Build the SCF procedure that method names – Hartree-Fock or a DFT functional – on basis, wrap it in a solvation correction constructed from solvation_args, and hand the wrapped procedure to run.