mccrun_prepare.hpp

/*
 * Copyright (c) 2013, Robert Rueger <rueger@itp.uni-frankfurt.de>
 *
 * This file is part of hVMC.
 *
 * hVMC is free software: you can redistribute it and/or modify
 * it under the terms of the GNU General Public License as published by
 * the Free Software Foundation, either version 3 of the License, or
 * (at your option) any later version.
 *
 * hVMC is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU General Public License for more details.
 *
 * You should have received a copy of the GNU General Public License
 * along with hVMC.  If not, see <http://www.gnu.org/licenses/>.
*/

#ifndef MCCRUN_PREPARE_H_INCLUDED
#define MCCRUN_PREPARE_H_INCLUDED

#include <set>
#include <memory>
#include <random>

#include <boost/optional.hpp>
#include <boost/mpi/communicator.hpp>

#define EIGEN_NO_AUTOMATIC_RESIZING
#include <eigen3/Eigen/Core>

#include "modman.hpp"
#include "lattice.hpp"
#include "options.hpp"
#include "obs.hpp"
#include "detwf.hpp"


ModelManager prepare_model(
  const Options& opts, const Eigen::VectorXd& vpar,
  const boost::mpi::communicator& mpicomm,
  boost::optional<const Eigen::VectorXi&> spindex_occ_init
    = boost::optional<const Eigen::VectorXi&>()
);

std::mt19937 prepare_rng(
  const Options& opts, const boost::mpi::communicator& mpicomm
);

std::shared_ptr<Lattice> prepare_lattice( const Options& opts );

std::vector< std::unique_ptr<Observable> > prepare_obscalcs(
  const std::set<observables_t>& obs, const Options& opts
);

#endif // MCCRUN_PREPARE_H_INCLUDED