Changelog

Version 3.1.1

TPRF version 3.1.1 is a patch release that fixes an issue with recent numpy versions.

We thank all contributors: Stefan, Hugo U. R. Strand, Nils Wentzell

Find below an itemized list of changes in this release.

General

  • Update 3.1 easybuild script with sha256 of release tarball

py

  • Fix numpy depr warnings (errors with modern numpy)

doc

  • Provide more details on eliashberg, BSE and chi0 changes in changelog

Version 3.1.0

TPRF version 3.1.0 is a compatibility release for TRIQS version 3.1.0 also containing some new functionality.

Eliashberg

  • Added functionality to solve the multi-orbital linearized Eliashberg equation for the most dominant gap functions:

    • Only irreducible particle-particle vertices dependent on one bosonic frequency and one momentum are supported.

    • Matrix product inside Eliashberg equation is implemented in two ways:

      • Explicit loops

      • Fourier transformations taking advantage of the convolution theorem Depending on the used meshs either implementation can be more efficient.

    • The Fourier implementation is parallelized over threads.

    • Functionality to solve for the most dominant gap function using the power method or solving for the k most dominant ones using the implicitly restarted Arnoldi method.

    • Functionality to only solve for gap functions with specific symmetries (frequency, momentum or orbital).

    • Added constructors for the singlet and triplet irreducible vertices in the random phase approximation.

Bethe-Salpeter equation (BSE)

  • Added functionality to solve the BSE at specific bosonic frequencies individually to avoid memory limitations.

Chi0

  • Added memory optimized version of chi0 construction for smaller frequency meshes.

  • Added functionality to construct chi0 for specific frequency.

Contributors: Stefan Käser, Hugo U.R. Strand

Maintenance

  • Change np.complex -> complex

  • Compiler warning fixes

  • Thread race-condition bugfix

TRIQS compatibility

  • Compatibility updates to adhere to changes in TRIQS from v3.0.0 to v3.1.0

  • Merges from app4triqs to adhere to changes in the TRIQS application framework from v3.0.0 to v3.1.0

Contributors: Nils Wentzell, Alexander Hampel, Dylan Simon, Hugo U.R. Strand

Version 3.0.0

tprf version 3.0.0 is a compatibility release for TRIQS version 3.0.0 that

  • introduces compatibility with Python 3 (Python 2 no longer supported)

  • adds a cmake-based dependency management

  • fixes various smaller application issues

We provide a more detailed description of the changes below.

General

  • Protect various solver logos for non-utf encoding of sys.stdout

  • Rename pytriqs->triqs

  • Run port_to_triqs3 script

  • Merge app4triqs python3 changes

  • Fix bug in wannier90 hr reader

cmake

  • Use find_package(OpenMP …) and define openmp INTERFACE target

  • Link cpp2py module also against triqs_py library

doc

  • Fix sidebar version number

  • Add a section on Anaconda to the install page

py3

  • Use 2to3 to port python files and notebooks

  • Fix floor division in various places

  • Make sure to use spaces for indentation and no tabs

python

  • Make sure to import pytriqs.utility.mpi in lattice module init

Contributors: Philipp Dumitrescu, Dylan Simon, Nils Wentzell, Manuel Zingl

Version 2.2.0

TPRF version 2.2.0 is a compatibility release for TRIQS version 2.2.0. It provides improvements to the documentation and fixes various smaller issues.

We provide a more detailed description of the changes below.

doc

  • Include debian package on installation page

  • Correct triqs links in conf.py.in

  • Fixes of various spelling error

  • Remove generated documentation, only regenerate on doc build

fourier

  • Fix sanitizer positives related to triqs unstable view adjustments

General

  • FIX in bse.py, We cannot generally guarantee that Idx(0,1,2) is a valid index of the mesh

  • FIX Do not use bracket operator of gf when domain_pt of cluster mesh is passed

  • Instead of gf<…>::zero_t use ::target_t::value_t

  • Use zeros(g.target_shape()) instead of g.get_zero()

  • Changes to restore triqs/2.2.0 compatibility

hf

  • Explicitly check compatibility of H_int and gf_struct

Version 2.1.1

  • We now provide a debian packaged version of tprf which is also part of the triqs docker image

  • Updated documentation with debian package install instructions

  • Minor fixes in the Documentation pages (spelling, corrected links)

  • Added a check for the compatibility between H_int and gf_struct