mirror of
https://github.com/triqs/dft_tools
synced 2024-12-27 06:43:40 +01:00
b644b38a6a
- Fix constructor, now taking n_points like the positive_only case - Fix python, h5read, for general case (i.e. all frequencies).
109 lines
4.3 KiB
C++
109 lines
4.3 KiB
C++
/*******************************************************************************
|
|
*
|
|
* TRIQS: a Toolbox for Research in Interacting Quantum Systems
|
|
*
|
|
* Copyright (C) 2012 by M. Ferrero, O. Parcollet
|
|
*
|
|
* TRIQS 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.
|
|
*
|
|
* TRIQS 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
|
|
* TRIQS. If not, see <http://www.gnu.org/licenses/>.
|
|
*
|
|
******************************************************************************/
|
|
#pragma once
|
|
#include "../tools.hpp"
|
|
#include <triqs/utility/arithmetic_ops_by_cast.hpp>
|
|
|
|
namespace triqs {
|
|
namespace gfs {
|
|
|
|
/**
|
|
* A matsubara frequency, i.e.
|
|
* * n : int, the index
|
|
* * beta : double, the temperature inverse
|
|
* * statistic : Fermion or Boson
|
|
*
|
|
* * Can be casted into a complex.
|
|
*
|
|
* * Every operations is done by casting to complex, except addition and substraction of matsubara_freq, which return matsubara_freq
|
|
* and work on the index
|
|
**/
|
|
struct matsubara_freq : public utility::arithmetic_ops_by_cast_disable_same_type<matsubara_freq, std::complex<double>> {
|
|
int n;
|
|
double beta;
|
|
statistic_enum statistic;
|
|
matsubara_freq() : n(0), beta(1), statistic(Fermion) {}
|
|
matsubara_freq(int n_, double beta_, statistic_enum stat_) : n(n_), beta(beta_), statistic(stat_) {}
|
|
using cast_t = std::complex<double>;
|
|
operator cast_t() const {
|
|
return {0, M_PI * (2 * n + statistic) / beta};
|
|
}
|
|
};
|
|
|
|
inline std::ostream &operator<<(std::ostream &out, matsubara_freq const &y) { return out << std::complex<double>(y); }
|
|
|
|
inline matsubara_freq operator+(matsubara_freq const &x, matsubara_freq const &y) {
|
|
return {x.n + y.n + (x.statistic & y.statistic), x.beta, ((x.statistic ^ y.statistic) == 1 ? Fermion : Boson)};
|
|
}
|
|
|
|
inline matsubara_freq operator-(matsubara_freq const &x, matsubara_freq const &y) {
|
|
return {x.n - y.n - (~x.statistic & y.statistic), x.beta, ((x.statistic ^ y.statistic) == 1 ? Fermion : Boson)};
|
|
}
|
|
|
|
inline matsubara_freq operator-(matsubara_freq const &mp) {
|
|
return {-(mp.n + mp.statistic == Fermion ? 1 : 0), mp.beta, mp.statistic};
|
|
}
|
|
|
|
//---------------------------------------------------------------------------------------------------------
|
|
/// The domain
|
|
template <bool IsFreq> struct matsubara_domain {
|
|
using point_t = typename std::conditional<IsFreq, std::complex<double>, double>::type;
|
|
double beta;
|
|
statistic_enum statistic;
|
|
matsubara_domain(double beta, statistic_enum s) : beta(beta), statistic(s) {
|
|
if (beta < 0) TRIQS_RUNTIME_ERROR << "Matsubara domain construction : beta <0 : beta =" << beta << "\n";
|
|
}
|
|
matsubara_domain() : matsubara_domain(1, Fermion) {}
|
|
matsubara_domain(matsubara_domain const &) = default;
|
|
matsubara_domain(matsubara_domain<!IsFreq> const &x) : matsubara_domain(x.beta, x.statistic) {}
|
|
bool operator==(matsubara_domain const &D) const { return ((std::abs(beta - D.beta) < 1.e-15) && (statistic == D.statistic)); }
|
|
|
|
/// Write into HDF5
|
|
friend void h5_write(h5::group fg, std::string subgroup_name, matsubara_domain const &d) {
|
|
h5::group gr = fg.create_group(subgroup_name);
|
|
h5_write(gr, "beta", d.beta);
|
|
h5_write(gr, "statistic", (d.statistic == Fermion ? "F" : "B"));
|
|
}
|
|
|
|
/// Read from HDF5
|
|
friend void h5_read(h5::group fg, std::string subgroup_name, matsubara_domain &d) {
|
|
h5::group gr = fg.open_group(subgroup_name);
|
|
double beta;
|
|
std::string statistic;
|
|
h5_read(gr, "beta", beta);
|
|
h5_read(gr, "statistic", statistic);
|
|
d = matsubara_domain(beta, (statistic == "F" ? Fermion : Boson));
|
|
}
|
|
|
|
// BOOST Serialization
|
|
friend class boost::serialization::access;
|
|
template <class Archive> void serialize(Archive &ar, const unsigned int version) {
|
|
ar &boost::serialization::make_nvp("beta", beta);
|
|
ar &boost::serialization::make_nvp("statistic", statistic);
|
|
}
|
|
};
|
|
|
|
using matsubara_freq_domain = matsubara_domain<true>;
|
|
using matsubara_time_domain = matsubara_domain<false>;
|
|
}
|
|
}
|
|
|