Applications based on TRIQS
The TRIQS library provides all the necessary building blocks for the development of applications for the study of interacting quantum systems. These applications can be grouped into one of the following categories
Official applications
These applications have readily been developed and are maintained by the TRIQS collaboration.
External applications
These applications were developed and are maintained externally but are still fundamentally relying on TRIQS library features.
Interfaces to external codes
These applications are thin wrappers around TRIQS independent codes that are developed and maintained externally. The maintenance of the interface layer is commonly shared between the TRIQS collaboration and the external developers.
If you would like to have your application listed please contact us directly.
Impurity Solvers
Hybridization-expansion solver
The hybridization-expansion solver is an official TRIQS application that allows to solve the generic problem of a quantum impurity embedded in a conduction bath. It is based on a quantum Monte Carlo algorithm that stochastically samples the diagrams of a hybridization expansion of the partition function.
For publications based on results produced with this application please cite Comput. Phys. Comm. 200, 274 (2016)
Homepage: https://triqs.github.io/cthyb/
Hubbard I solver
This solver gives the Hubbard I solution of a quantum impurity problem, i.e. it solves the atomic limit. This simple approximation allows for very quick answers even for large multiband systems.
Homepage: https://triqs.github.io/hubbardI/
Hartree Fock solver
This solver calculates the self-consistent Hartree or Hartree Fock approximation for a given quantum impurity or lattice problem. It uses gradient descent to solve the self-consistency at fixed density or chemical potential. The solver is limited to static and local interactions.
Homepage: https://triqs.github.io/hartree_fock/
PYED - Exact diagonalization for finite quantum systems (external)
The TRIQS-based python application pyed implements exact diagonalization for finite fermionic many-body quantum systems, together with calculations of several response functions in imagianary time.
Homepage: https://github.com/hugostrand/pyed/
Interface to the pomerol exact diagonalization solver (external)
TRIQS wrapper around the Pomerol exact diagonalization library.
For publications based on results produced with this application please cite 10.5281/zenodo.592291
Interface to the w2dynamics impurity solver
This application provides an interface to the continuous-time hybridization expansion impurity solver contained in the w2dynamics software package.
For publications based on results produced with this application please cite Comput. Phys. Commun. 235, 388 (2019)
Interface to the NRG Ljubljana impurity solver
This application provides an interface to the numerical renormalization group impurity solver NRG Ljubljana.
For publications based on results produced with this application please cite Phys. Rev. B 79, 085106 (2009)
Ab-Initio Tools
solid_dmft - Python wrapper to perform DFT+DMFT calculations using TRIQS
solid_dmft allows to perform DFT+DMFT ‘’one-shot’’ and charge self-consistent (CSC) calculations from h5 archives, created by DFTTools or VASP/Quantum Espresso input files for multiband systems. It takes advantage of various impurity solvers available in TRIQS. Postprocessing scripts are available to perform analytic continuation and calculate spectral functions.
Homepage: https://triqs.github.io/solid_dmft/
Analytic Continuation
Maxent
This official TRIQS application provides a modular Maximum Entropy program to perform analytic continuation.
Homepage: https://triqs.github.io/maxent/
Nevanlinna Analytic Continuation
This is a TRIQS based implementation of analytical continuation methods using Nevanlinna [1] and Caratheodory [2] functions.
The application is written and maintained by S. Iskakov, N. Wentzell and A. Hampel.
For papers discussing implemented methods see:
Homepage: https://triqs.github.io/Nevanlinna/
SOM - Stochastic Optimization Method for Analytic Continuation (external)
This external TRIQS application is an optimized implementation of an analytic continuation method proposed by Andrey S. Mishchenko. A detailed description of the method can be found here. It also supports the Stochastic Optimization with Consistent Constraints extensions proposed by Olga Goulko et al in Phys. Rev. B 95, 014102 (2017).
For publications based on results produced with this application please cite Comput. Phys. Commun. 239, 166 (2019)
Homepage: http://krivenko.github.io/som/
Interface to Omegamaxent
This application provides an interface to the OmegaMaxent Maximum Entropy code.
For publications based on results produced with this application please cite Phys. Rev. E 94, 023303 (2016)
Other Applications
TPRF - The Two-Particle Response Function tool box
The two-particle response function tool box (TPRF) is an official TRIQS application that provides efficient (C++/OpenMP/MPI) implementations of the basic operations for higher order response functions such as inversion, products, the random phase approximation, the Bethe Salpeter equation, etc.
For publications based on results produced with this application please cite 10.5281/zenodo.2638058
Homepage: https://triqs.github.io/tprf/
TRIQS Solver benchmarks
This official TRIQS application provides systematic tests and benchmarks of various impurity solvers for a set of reference impurity models. It uses the Python interface of the TRIQS library as a framework.
Homepage: https://github.com/triqs/benchmarks
App4Triqs Application Skeleton
This official TRIQS application provides a CMake based skeleton for TRIQS applications. Most of the official TRIQS applications are continuously following this project structure. It can be easily adapted for your own application.
Homepage: https://github.com/triqs/app4triqs
Cpp2Py
Cpp2Py is the Python-C++ interfacing tool of the TRIQS project, provided here as a standalone project.
Homepage: https://github.com/triqs/cpp2py