TB2J

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

A python package for automatic calculation of magnetic effective interactions between atoms (exchange and Dzyaloshinskii-Moriya interactions) from ab initio Hamiltonians based on Wannier functions and LCAO calculations. The package can postprocess Hamiltonians calculated using Wannier90, Siesta, and OpenMX. Input files for magnetic structure simulators such as Vampire can also be generated.

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Tensordot

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

Automatic generation tool for codes of tensor contraction. This tool can automatically generate codes of an optimal computing sequence for construction of a single tensor from a tensor network composed of tensors. Netcon algorithm proposed by Pfeifer et al. is used, and it is possible to search optimal solution quickly. Generated codes are available in Numpy and mptensor in Python.

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TC++

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

TC++ is open-source software for ab initio calculations using the transcorrelated (TC) method. In TC++, users can take account of electron correlations in a Jastrow correlation factor based on the TC method. Electronic structures obtained by Quantum ESPRESSO can be used as an initial state of TC++.

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TurboGenius

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

Python wrapper to manage jobs for the ab initio Monte Carlo package TurboRVB. By combining with a workflow management application, TurboWorkflows,  users can perform high-throughput calculations based on TurboRVB.

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TAPIOCA

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

A tool of input-file preparation and visualization for xTAPP, an application of the first-principle calculation. By graphical user interface (GUI), this application helps xTAPP users for making input files, and visualizes results of wavefunctions, electron densities, and potential profiles into three-dimensional graphics from output files.

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Theano

  • Level of openness 3 ★★★
  • Document quality 3 ★★★

An open-source numerical library for machine learning. Various functions related to deep learning are implemented. This package directly treats equations as such, and have useful routines such as matrix operation and auto partial derivative. Users can convert their codes into C language, and can compile it. High speed operation by GPGPU parallel calculation is supported. A number of tutorials are available.

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Torch

  • Level of openness 3 ★★★
  • Document quality 3 ★★★

An open-source numerical library for machine learning. Various functions related to deep learning based on neural networks are implemented. Users can implement complex network with flexible description, and can try various state-of-the-art methods. This package is used in a number of companies in the world. This package is written by the script language, lua.

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TeNeS

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

A solver program for two dimensional quantum lattice model based on a projected entangled pair state wavefunction and the corner transfer matrix renormalization group method.
This works on a massively parallel machine because tensor operations are OpenMP/MPI parallelized.

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TurboRVB

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

Ab initio quantum Monte Carlo solver for both molecular and bulk electronic systems. By using the geminal/Pfaffian wavefunction with the Jastrow correlator as the trial wavefunction, users can perform highly accurate variational calculations, structural optimizations and ab initio molecular dynamics for both classical and quantum nuclei.

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TITPACK

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

An open-source program package for numerical diagonalization of quantum spin systems. The FORTRAN source programs are relatively simple and highly readable, and it can be applied to various quantum spin systems by modifying the main routine. Both the Lanczos and the inverse iteration methods are implemented for calculation of eigenvalues and eigenvectors, as well as correlation functions. Can be also used for diagonalization problems of general sparse matrices.

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