LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-12-25 13:53:40 +01:00
Code Issues Releases Wiki Activity

Fix upper bound problem in tails

Browse Source 
There was a mistake in the computation of omax in the tail multiplication.

  modified:   triqs/gfs/local/functions.cpp
  modified:   triqs/gfs/local/tail.hpp
This commit is contained in:
Michel Ferrero 2013-09-13 12:16:04 +02:00
parent 2cca9584b9
commit 84df58aad7
2 changed files with 36 additions and 42 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
triqs/gfs/local/functions.cpp
View File

@ -90,7 +90,7 @@ namespace triqs { namespace gfs {
local::tail_view get_tail(gf_view<legendre> const & gl, int size = 10, int omin = -1) {
auto sh = gl.data().shape().front_pop();
local::tail t(sh);
local::tail t(sh, size, omin);
t.data() = 0.0;
for (int p=1; p<=t.order_max(); p++)

76
triqs/gfs/local/tail.hpp
View File

@ -47,9 +47,9 @@ namespace triqs { namespace gfs { namespace local {
// ---------------------- implementation --------------------------------
/// A common implementation class. Idiom : ValueView
/// A common implementation class. Idiom: ValueView
template<bool IsView> class tail_impl {
public :
public:
typedef tail_view view_type;
typedef tail regular_type;
@ -91,14 +91,14 @@ namespace triqs { namespace gfs { namespace local {
data_type _data;
// All constructors
tail_impl(): mask(), _data(), omin(0) {} // all arrays of zero size (empty)
tail_impl(size_t N1, size_t N2, long omin_, long size_):
omin(omin_), mask(tqa::make_shape(N1,N2)), _data(tqa::make_shape(size_,N1,N2)) {
mask() = omin+size_-1;
tail_impl(): omin(0), mask(), _data() {} // all arrays of zero size (empty)
tail_impl(size_t N1, size_t N2, size_t size_, long order_min):
omin(order_min), mask(tqa::make_shape(N1,N2)), _data(tqa::make_shape(size_,N1,N2)) {
mask() = order_min+size_-1;
_data() = 0;
}
tail_impl(data_type const &d, mask_type const &m, long omin_): mask(m), _data(d), omin(omin_) {}
tail_impl(tail_impl<!IsView> const & x): mask(x.mask), _data(x._data), omin(x.omin) {}
tail_impl(tail_impl<!IsView> const & x): omin(x.omin), mask(x.mask), _data(x._data) {}
tail_impl(tail_impl const &) = default;
tail_impl(tail_impl &&) = default;
@ -126,10 +126,10 @@ namespace triqs { namespace gfs { namespace local {
operator freq_infty() const { return freq_infty(); }
/// Save in txt file : doc the format ? ---> prefer serialization or hdf5 !
/// Save in txt file: doc the format ? ---> prefer serialization or hdf5 !
void save(std::string file, bool accumulate=false) const {}
/// Load from txt file : doc the format ?
/// Load from txt file: doc the format ?
//void load(std::string file){}
friend std::string get_triqs_hdf5_data_scheme(tail_impl const & g) { return "TailGf"; }
@ -137,8 +137,6 @@ namespace triqs { namespace gfs { namespace local {
///
friend void h5_write (h5::group fg, std::string subgroup_name, tail_impl const & t) {
auto gr = fg.create_group(subgroup_name);
// tagging the hdf5 file
//gr.write_triqs_hdf5_data_scheme(t);
h5_write(gr,"omin",t.omin);
h5_write(gr,"mask",t.mask);
h5_write(gr,"data",t._data);
@ -146,11 +144,6 @@ namespace triqs { namespace gfs { namespace local {
friend void h5_read (h5::group fg, std::string subgroup_name, tail_impl & t){
auto gr = fg.open_group(subgroup_name);
// Check the attribute or throw
//auto tag_file = gr.read_triqs_hdf5_data_scheme();
//auto tag_expected= get_triqs_hdf5_data_scheme(t);
//if (tag_file != tag_expected)
// TRIQS_RUNTIME_ERROR<< "h5_read : mismatch of the tag TRIQS_HDF5_data_scheme tag in the h5 group : found "<<tag_file << " while I expected "<< tag_expected;
h5_read(gr,"omin",t.omin);
h5_read(gr,"mask",t.mask);
h5_read(gr,"data",t._data);
@ -175,13 +168,13 @@ namespace triqs { namespace gfs { namespace local {
// -----------------------------
// the view class
class tail_view : public tail_impl <true> {
class tail_view: public tail_impl <true> {
typedef tail_impl <true> B;
friend class tail;
public :
public:
template<bool V> tail_view(tail_impl<V> const & t): B(t){}
tail_view(B::data_type const &d, B::mask_type const &m, long order_min=-1): B(d, m, order_min) {}
tail_view(B::data_type const &d, B::mask_type const &m, long order_min): B(d, m, order_min) {}
tail_view(tail_view const &) = default;
tail_view(tail_view &&) = default;
@ -205,7 +198,7 @@ namespace triqs { namespace gfs { namespace local {
tail_view & operator = (std::complex<double> const & x) {
_data() = 0.0;
mv_type(_data(-omin, tqa::range(), tqa::range())) = x;
mask() = omin+_data.shape()[0]-1;
mask() = omin+size()-1;
return *this;
}
@ -216,14 +209,14 @@ namespace triqs { namespace gfs { namespace local {
// -----------------------------
// the regular class
class tail : public tail_impl <false> {
class tail: public tail_impl <false> {
typedef tail_impl <false> B;
friend class tail_view;
public :
public:
tail():B() {}
typedef tqa::mini_vector<size_t,2> shape_type;
tail(size_t N1, size_t N2, long order_min=-1, long size=10): B(N1,N2,order_min,size) {}
tail(shape_type const & sh, long order_min=-1, long size=10): B(sh[0],sh[1],order_min,size) {}
tail(size_t N1, size_t N2, size_t size_=10, long order_min=-1): B(N1,N2,size_,order_min) {}
tail(shape_type const & sh, size_t size_=10, long order_min=-1): B(sh[0],sh[1],size_,order_min) {}
tail(tail const & g): B(g) {}
tail(tail_view const & g): B(g) {}
tail(tail &&) = default;
@ -244,19 +237,19 @@ namespace triqs { namespace gfs { namespace local {
using B::operator();
/// The simplest tail corresponding to : omega
static tail_view omega(size_t N1, size_t N2) {
tail t(N1, N2);
/// The simplest tail corresponding to omega
static tail_view omega(size_t N1, size_t N2, size_t size_, long order_min) {
tail t(N1, N2, size_, order_min);
t(-1) = 1;
return t;
}
/// The simplest tail corresponding to : omega, constructed from a shape for convenience
static tail_view omega(tail::shape_type const & sh) { return omega(sh[0],sh[1]); }
/// The simplest tail corresponding to omega, constructed from a shape for convenience
static tail_view omega(tail::shape_type const & sh, size_t size_, long order_min) { return omega(sh[0],sh[1],size_,order_min); }
};
template<typename RHS> void assign_from_expression(tail_view & t,RHS const & rhs) { t = rhs( tail::omega(t.shape()) ); }
template<typename RHS> void assign_from_expression(tail_view & t,RHS const & rhs) { t = rhs( tail::omega(t.shape(),t.size(),t.order_min()) ); }
inline void tail_view::rebind(tail const &X) {
omin = X.omin;
@ -266,7 +259,7 @@ namespace triqs { namespace gfs { namespace local {
inline tail_view & tail_view::operator = (const tail & rhs) {
if ((_data.shape()[1] != rhs._data.shape()[1]) || (_data.shape()[2] != rhs._data.shape()[2]) || (omin != rhs.omin))
TRIQS_RUNTIME_ERROR<<"rhs has different shape";
TRIQS_RUNTIME_ERROR<<"tails are incompatible";
mask = rhs.mask;
_data = rhs._data;
return *this;
@ -282,8 +275,7 @@ namespace triqs { namespace gfs { namespace local {
long omax1 = std::min(t.order_max() + 2*omin1, t.order_min()+long(t.size())-1);
size_t si = omax1-omin1+1;
tail res(t);
res.data() = 0.0;
tail res(t.shape(), t.size(), t.order_min());
res.mask_view() = omax1;
res(omin1) = inverse(t(-omin1));
@ -298,13 +290,13 @@ namespace triqs { namespace gfs { namespace local {
}
inline tail mult_impl(tail_view const & l, tail_view const& r) {
if (l.shape()[1] != r.shape()[0] || l.order_min() != r.order_min()) TRIQS_RUNTIME_ERROR<< "tail multiplication : shape mismatch";
if (l.shape()[1] != r.shape()[0] || l.order_min() != r.order_min() || l.size() != r.size())
TRIQS_RUNTIME_ERROR<< "tail multiplication: shape mismatch";
long omin1 = l.smallest_nonzero() + r.smallest_nonzero();
long omax1 = std::min(r.order_max()+l.smallest_nonzero(), l.order_max()+r.smallest_nonzero());
long omax1 = std::min(std::min(r.order_max()+l.smallest_nonzero(), l.order_max()+r.smallest_nonzero()), r.order_min()+long(r.size())-1);
size_t si = omax1-omin1+1;
tail res(l);
res.data() = 0.0;
tail res(l.shape(), l.size(), l.order_min());
res.mask_view() = omax1;
for (long n=res.order_min(); n<=res.order_max(); ++n) {
@ -342,8 +334,9 @@ namespace triqs { namespace gfs { namespace local {
template<typename T1, typename T2> TYPE_ENABLE_IF(tail,mpl::and_<LocalTail<T1>, LocalTail<T2>>)
operator + (T1 const & l, T2 const& r) {
if (l.shape() != r.shape() || l.order_min() != r.order_min()) TRIQS_RUNTIME_ERROR<< "tail addition : shape mismatch";
tail res(l.shape());
if (l.shape() != r.shape() || l.order_min() != r.order_min() || (l.size() != r.size()))
TRIQS_RUNTIME_ERROR<< "tail addition: shape mismatch";
tail res(l.shape(), l.size(), l.order_min());
res.mask_view() = std::min(l.order_max(), r.order_max());
for (long i = res.order_min(); i<=res.order_max(); ++i) res(i) = l(i) + r(i);
return res;
@ -351,8 +344,9 @@ namespace triqs { namespace gfs { namespace local {
template<typename T1, typename T2> TYPE_ENABLE_IF(tail,mpl::and_<LocalTail<T1>, LocalTail<T2>>)
operator - (T1 const & l, T2 const& r) {
if (l.shape() != r.shape() || l.order_min() != r.order_min()) TRIQS_RUNTIME_ERROR<< "tail addition : shape mismatch";
tail res(l.shape());
if (l.shape() != r.shape() || l.order_min() != r.order_min() || (l.size() != r.size()))
TRIQS_RUNTIME_ERROR<< "tail addition: shape mismatch";
tail res(l.shape(), l.size(), l.order_min());
res.mask_view() = std::min(l.order_max(), r.order_max());
for (long i = res.order_min(); i<=res.order_max(); ++i) res(i) = l(i) - r(i);
return res;