(changelog)= # Changelog ## Version 3.3.1 TPRF version 3.3.1 is a patch release that fixes an issue with recent numpy versions. We thank all contributors: Nils Wentzell Find below an itemized list of changes in this release. ### General * Fix compatibility against numpy 2.0 ## Version 3.3.0 TPRF version 3.3.0 is a compatibility release for TRIQS version 3.3.0. We thank all contributors: Thomas Hahn, Alexander Hampel, Henri Menke, Hugo U. R. Strand, Yann in 't Veld, Nils Wentzell Find below an itemized list of changes in this release. ### General * Updated vasp cRPA parsers to triqs 3.3.x * Use unstable branch of cpp2py and update CI builds * In HF stablizie mu finder * Fix h5serialization for ParameterCollections * Fix broken Pade on DLR Gfs ### gw * Implemented gw_sigma DLR mesh types * Fix optional SigmaH and SigmaF in rf calculation ### doc * Dual BSE tutorial fixes * Correct Ubuntu Version in install instructions * Fixed incorrect GW indices in documentation ### cmake * Add setuptools to requirements.txt * Remove packaging/conda directory, already contained in feedstock ## Version 3.2.0 TPRF version 3.2.0 is a compatibility release for TRIQS version 3.2.0. We thank all contributors: Olivier Gingras, Alexander Hampel, Stefan Kaeser, Erik van Loon, Malte Rösner, Dylan Simon, Hugo U. R. Strand, Yann in 't Veld, Nils Wentzell The major updates are: ### Dual Bethe-Salpeter Equation (DBSE) * Added framework for DBSE calculations of the DMFT lattice susceptibility with `1/N^3` frequency convergence. * Tutorial for DMFT spin-susceptibitlity in Sr2RuO4 using DBSE ### Hedin's GW approximation * Real-frequency routines have been extended to G0W0 * Fully selfconsistent solver in imaginary time and Matsubara frequency (with DLR support) ### Discrete Lehmann Representation (DLR) support * Enabled for * GW * Eliashberg * DLR fit for noisy single-particle Green's function from Monte Carlo, enforcing consistency between the density and the Hartree-Fock static component of the self-energy. ## 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](https://hub.docker.com/r/flatironinstitute/triqs) * 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