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https://github.com/triqs/dft_tools
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gf: imfreq : fix evaluator for n<0
- in positive only case, the evaluator for n<0 was wrong : must shift the integer by -1 for the fermions.
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5128126055
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05c717e70f
@ -69,14 +69,18 @@ namespace gfs {
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// handle the case where the matsu. freq is out of grid...
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// handle the case where the matsu. freq is out of grid...
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template <typename Target, typename Opt> struct evaluator<imfreq, Target, Opt> {
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template <typename Target, typename Opt> struct evaluator<imfreq, Target, Opt> {
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static constexpr int arity = 1;
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static constexpr int arity = 1;
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// TO BE REMOVED
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template <typename G> auto operator()(G const *g, int n) const DECL_AND_RETURN((*g)[n]);
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template <typename G> auto operator()(G const *g, int n) const DECL_AND_RETURN((*g)[n]);
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private:
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template <typename G> int sh(G const * g) const { return (g->mesh().domain().statistic == Fermion ? 1 : 0);}
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// dispatch for 2x2 cases : matrix/scalar and tail/no_tail ( true means no_tail)
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// dispatch for 2x2 cases : matrix/scalar and tail/no_tail ( true means no_tail)
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template <typename G>
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template <typename G>
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std::complex<double> _call_impl(G const *g, matsubara_freq const &f, scalar_valued, std::false_type) const {
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std::complex<double> _call_impl(G const *g, matsubara_freq const &f, scalar_valued, std::false_type) const {
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if (g->mesh().positive_only()){//only positive Matsubara frequencies
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if (g->mesh().positive_only()){//only positive Matsubara frequencies
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if ((f.n >= 0) && (f.n < g->mesh().size())) return (*g)[f.n];
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if ((f.n >= 0) && (f.n < g->mesh().size())) return (*g)[f.n];
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if ((f.n < 0) && (-f.n < g->mesh().size())) return conj((*g)[-f.n]);
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if ((f.n < 0) && ((-f.n-sh(g)) < g->mesh().size())) return conj((*g)[-f.n-sh(g)]);
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}
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}
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else{
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else{
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if ((f.n >= g->mesh().first_index()) && (f.n < g->mesh().size()+g->mesh().first_index())) return (*g)[f.n];
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if ((f.n >= g->mesh().first_index()) && (f.n < g->mesh().size()+g->mesh().first_index())) return (*g)[f.n];
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@ -88,7 +92,7 @@ namespace gfs {
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std::complex<double> _call_impl(G const *g, matsubara_freq const &f, scalar_valued, std::true_type) const {
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std::complex<double> _call_impl(G const *g, matsubara_freq const &f, scalar_valued, std::true_type) const {
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if (g->mesh().positive_only()){//only positive Matsubara frequencies
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if (g->mesh().positive_only()){//only positive Matsubara frequencies
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if ((f.n >= 0) && (f.n < g->mesh().size())) return (*g)[f.n];
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if ((f.n >= 0) && (f.n < g->mesh().size())) return (*g)[f.n];
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if ((f.n < 0) && (-f.n < g->mesh().size())) return conj((*g)[-f.n]);
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if ((f.n < 0) && ((-f.n-sh(g)) < g->mesh().size())) return conj((*g)[-f.n-sh(g)]);
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}
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}
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else{
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else{
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if ((f.n >= g->mesh().first_index()) && (f.n < g->mesh().size()+g->mesh().first_index())) return (*g)[f.n];
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if ((f.n >= g->mesh().first_index()) && (f.n < g->mesh().size()+g->mesh().first_index())) return (*g)[f.n];
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@ -101,8 +105,8 @@ namespace gfs {
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std::false_type) const {
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std::false_type) const {
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if (g->mesh().positive_only()){//only positive Matsubara frequencies
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if (g->mesh().positive_only()){//only positive Matsubara frequencies
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if ((f.n >= 0) && (f.n < g->mesh().size())) return (*g)[f.n]();
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if ((f.n >= 0) && (f.n < g->mesh().size())) return (*g)[f.n]();
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if ((f.n < 0) && (-f.n < g->mesh().size()))
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if ((f.n < 0) && ((-f.n-sh(g)) < g->mesh().size()))
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return arrays::matrix<std::complex<double>>{conj((*g)[-f.n]())};
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return arrays::matrix<std::complex<double>>{conj((*g)[-f.n-sh(g)]())};
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}
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}
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else{
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else{
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if ((f.n >= g->mesh().first_index()) && (f.n < g->mesh().size()+g->mesh().first_index())) return (*g)[f.n];
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if ((f.n >= g->mesh().first_index()) && (f.n < g->mesh().size()+g->mesh().first_index())) return (*g)[f.n];
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@ -115,8 +119,8 @@ namespace gfs {
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std::true_type) const {
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std::true_type) const {
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if (g->mesh().positive_only()){//only positive Matsubara frequencies
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if (g->mesh().positive_only()){//only positive Matsubara frequencies
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if ((f.n >= 0) && (f.n < g->mesh().size())) return (*g)[f.n]();
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if ((f.n >= 0) && (f.n < g->mesh().size())) return (*g)[f.n]();
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if ((f.n < 0) && (-f.n < g->mesh().size()))
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if ((f.n < 0) && ((-f.n-sh(g)) < g->mesh().size()))
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return arrays::matrix<std::complex<double>>{conj((*g)[-f.n]())};
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return arrays::matrix<std::complex<double>>{conj((*g)[-f.n-sh(g)]())};
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}
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}
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else{
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else{
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if ((f.n >= g->mesh().first_index()) && (f.n < g->mesh().size()+g->mesh().first_index())) return (*g)[f.n];
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if ((f.n >= g->mesh().first_index()) && (f.n < g->mesh().size()+g->mesh().first_index())) return (*g)[f.n];
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@ -131,6 +135,7 @@ namespace gfs {
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auto operator()(G const *g, matsubara_freq const &f) const
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auto operator()(G const *g, matsubara_freq const &f) const
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DECL_AND_RETURN(_call_impl(g, f, Target{}, std::integral_constant<bool, std::is_same<Opt, no_tail>::value>{}));
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DECL_AND_RETURN(_call_impl(g, f, Target{}, std::integral_constant<bool, std::is_same<Opt, no_tail>::value>{}));
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*/
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*/
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public:
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template <typename G>
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template <typename G>
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typename std::conditional<std::is_same<Target, matrix_valued>::value, arrays::matrix_const_view<std::complex<double>>,
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typename std::conditional<std::is_same<Target, matrix_valued>::value, arrays::matrix_const_view<std::complex<double>>,
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