mirror of
https://github.com/triqs/dft_tools
synced 2024-11-01 03:33:50 +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++
/*******************************************************************************
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*
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* TRIQS: a Toolbox for Research in Interacting Quantum Systems
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*
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* Copyright (C) 2012 by M. Ferrero, O. Parcollet
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*
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* TRIQS is free software: you can redistribute it and/or modify it under the
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* terms of the GNU General Public License as published by the Free Software
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* Foundation, either version 3 of the License, or (at your option) any later
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* version.
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*
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* TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
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* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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* FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
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* details.
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*
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* You should have received a copy of the GNU General Public License along with
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* TRIQS. If not, see <http://www.gnu.org/licenses/>.
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*
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******************************************************************************/
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#pragma once
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#include "../tools.hpp"
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#include <triqs/utility/arithmetic_ops_by_cast.hpp>
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namespace triqs {
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namespace gfs {
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/**
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* A matsubara frequency, i.e.
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* * n : int, the index
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* * beta : double, the temperature inverse
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* * statistic : Fermion or Boson
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*
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* * Can be casted into a complex.
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*
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* * Every operations is done by casting to complex, except addition and substraction of matsubara_freq, which return matsubara_freq
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* and work on the index
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**/
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struct matsubara_freq : public utility::arithmetic_ops_by_cast_disable_same_type<matsubara_freq, std::complex<double>> {
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int n;
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double beta;
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statistic_enum statistic;
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matsubara_freq() : n(0), beta(1), statistic(Fermion) {}
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matsubara_freq(int n_, double beta_, statistic_enum stat_) : n(n_), beta(beta_), statistic(stat_) {}
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using cast_t = std::complex<double>;
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operator cast_t() const {
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return {0, M_PI * (2 * n + statistic) / beta};
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}
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};
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inline std::ostream &operator<<(std::ostream &out, matsubara_freq const &y) { return out << std::complex<double>(y); }
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inline matsubara_freq operator+(matsubara_freq const &x, matsubara_freq const &y) {
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return {x.n + y.n + (x.statistic & y.statistic), x.beta, ((x.statistic ^ y.statistic) == 1 ? Fermion : Boson)};
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}
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inline matsubara_freq operator-(matsubara_freq const &x, matsubara_freq const &y) {
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return {x.n - y.n - (~x.statistic & y.statistic), x.beta, ((x.statistic ^ y.statistic) == 1 ? Fermion : Boson)};
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}
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inline matsubara_freq operator-(matsubara_freq const &mp) {
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return {-(mp.n + mp.statistic == Fermion ? 1 : 0), mp.beta, mp.statistic};
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}
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//---------------------------------------------------------------------------------------------------------
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/// The domain
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template <bool IsFreq> struct matsubara_domain {
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using point_t = typename std::conditional<IsFreq, std::complex<double>, double>::type;
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double beta;
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statistic_enum statistic;
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matsubara_domain(double beta, statistic_enum s) : beta(beta), statistic(s) {
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if (beta < 0) TRIQS_RUNTIME_ERROR << "Matsubara domain construction : beta <0 : beta =" << beta << "\n";
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}
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matsubara_domain() : matsubara_domain(1, Fermion) {}
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matsubara_domain(matsubara_domain const &) = default;
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matsubara_domain(matsubara_domain<!IsFreq> const &x) : matsubara_domain(x.beta, x.statistic) {}
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bool operator==(matsubara_domain const &D) const { return ((std::abs(beta - D.beta) < 1.e-15) && (statistic == D.statistic)); }
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/// Write into HDF5
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friend void h5_write(h5::group fg, std::string subgroup_name, matsubara_domain const &d) {
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h5::group gr = fg.create_group(subgroup_name);
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h5_write(gr, "beta", d.beta);
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h5_write(gr, "statistic", (d.statistic == Fermion ? "F" : "B"));
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}
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/// Read from HDF5
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friend void h5_read(h5::group fg, std::string subgroup_name, matsubara_domain &d) {
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h5::group gr = fg.open_group(subgroup_name);
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double beta;
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std::string statistic;
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h5_read(gr, "beta", beta);
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h5_read(gr, "statistic", statistic);
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d = matsubara_domain(beta, (statistic == "F" ? Fermion : Boson));
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}
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// BOOST Serialization
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friend class boost::serialization::access;
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template <class Archive> void serialize(Archive &ar, const unsigned int version) {
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ar &boost::serialization::make_nvp("beta", beta);
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ar &boost::serialization::make_nvp("statistic", statistic);
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}
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};
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using matsubara_freq_domain = matsubara_domain<true>;
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using matsubara_time_domain = matsubara_domain<false>;
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}
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}
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