What’s New¶
0.10.0 (2021-09-19)¶
Breaking Changes¶
Drop support for Python 3.6, minimal version is now 3.7
Content of
gftool.matrix
was renamed more appropriately:xi of
Decomposition
is noweig
, as it contains the eigenvaluesNew functions
decompose_mat
for general matrices,decompose_sym
for complex symmetric matrices, anddecompose_her
for Hermitian matrices.
Depreciations¶
Deprecate the
matrix
functionsdecompose_gf
,decompose_hamiltonian
,from_gf
, andfrom_hamiltonian
.
Documentation¶
New index page independent of README, separated Getting started page.
Improve Tutorial and
gftool.matrix
Generate PDF documentation on ReadTheDocs (3122e1ba)
Internal improvements¶
Use eigendecomposition instead of SVD in
gftool.beb
(0475c110)Drop slow
asfortranarray
ingftool.matrix
(4865cc05)Use pre-commit (6f4028d3)
0.9.1 (2021-06-01)¶
Other New Features¶
SIAM: add greater and lesser Green’s functions
gf0_loc_gr_t
andgf0_loc_le_t
(ea541f3)
0.8.1 (2021-04-25)¶
New Features¶
The 3D cubic lattices were added:
body-centered cubic
gftool.lattice.bcc
(406acef8)face-centered cubic
gftool.lattice.fcc
(ddd559cb)
0.8.0 (2021-04-17)¶
New Features¶
The gftool.lattice
module was extended, especially regarding two-dimensional lattice.
There where also some enhancements, given DOS moments are now up to order 20,
and they should be accurate to machine precision.
The following lattices where added with full interface:
Simple cubic:
gftool.lattice.sc
(4e3021) by Andreas ÖstlinHoneycomb:
gftool.lattice.honeycomb
(7aa3133)Triangular:
gftool.lattice.triangular
(c56f33e)
Local Green’s function and DOS is now also available for the following lattices:
Lieb:
gftool.lattice.lieb
(c76e948)Kagome:
gftool.lattice.kagome
(28a41c0)Bethe lattice with general coordination:
gftool.lattice.bethez
(2648cf4)Rectangular:
gftool.lattice.rectangular
Other New Features¶
add retarded time Green’s function give by its poles
gftool.pole_gf_ret_t
added
gftool.siam
module with some basics for the non-interacting siam
Depreciations¶
gftool.density
is deprecated and will likely be discontinued. Consider the more flexiblegftool.density_iw
instead.
0.7.0 (2020-10-18)¶
Breaking Changes¶
The
gftool.pade
module had a minor rework. The behavior of filters changed. Future breaking changes are to be expected, the module is not well structured.
New Features¶
add
gftool.lattice.onedim
for Green’s function of one-dimensional latticeadd fitting of high-frequency moment to
gftool.fourier.iw2tau
(e2c92e2)
Other New Features¶
add
gftool.density_iw
function as common interface to calculate occupation number from Matsubara or Padé frequenciesallow calculation of
gftool.lattice.bethe
for Bethe lattice at complex points (note, that this is probably not a physically meaningful quantity) (ccbac7b)add stress tensor transformation
gftool.lattice.square.stress_trafo
for 2D (528fb21)
Bug fixes¶
Fix constant in
gftool.fourier.tau2iw_ft_lin
(e2163e3). This error most likely didn’t significantly affect any results for a reasonable number of tau-points.gftool.density
should work now with gu-style matrices (4deffdf)