(changelog)=
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.
- Fix compatibility against numpy 2.0
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.
- 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
- Implemented gw_sigma DLR mesh types
- Fix optional SigmaH and SigmaF in rf calculation
- Dual BSE tutorial fixes
- Correct Ubuntu Version in install instructions
- Fixed incorrect GW indices in documentation
- Add setuptools to requirements.txt
- Remove packaging/conda directory, already contained in feedstock
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:
- Added framework for DBSE calculations of the DMFT lattice susceptibility with
1/N^3frequency convergence. - Tutorial for DMFT spin-susceptibitlity in Sr2RuO4 using DBSE
- Real-frequency routines have been extended to G0W0
- Fully selfconsistent solver in imaginary time and Matsubara frequency (with 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.
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.
- Update 3.1 easybuild script with sha256 of release tarball
- Fix numpy depr warnings (errors with modern numpy)
- Provide more details on eliashberg, BSE and chi0 changes in changelog
TPRF version 3.1.0 is a compatibility release for TRIQS version 3.1.0 also containing some new functionality.
- 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
kmost 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.
- Added functionality to solve the BSE at specific bosonic frequencies individually to avoid memory limitations.
- 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
- Change np.complex -> complex
- Compiler warning fixes
- Thread race-condition bugfix
- 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
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.
- 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
- Use find_package(OpenMP ...) and define openmp INTERFACE target
- Link cpp2py module also against triqs_py library
- Fix sidebar version number
- Add a section on Anaconda to the install page
- Use 2to3 to port python files and notebooks
- Fix floor division in various places
- Make sure to use spaces for indentation and no tabs
- Make sure to import pytriqs.utility.mpi in lattice module init
Contributors: Philipp Dumitrescu, Dylan Simon, Nils Wentzell, Manuel Zingl
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.
- 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
- Fix sanitizer positives related to triqs unstable view adjustments
- 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
- Explicitly check compatibility of H_int and gf_struct
- 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