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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TRIQS

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

A library collection for numerical calculation of interacting quantum systems. Modern programming techniques are used in this library to implement common tasks for solving quantum impurity problems in dynamic mean-field theory in a simple and efficient way. It is written in C++ and Python, and includes tutorials using Jupyter Notebook.

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TOMBO

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

A first principles calculation program using all electron mixture based approach. It targets broad physical systems such as isolated systems, surfaces and interfaces, and crystals, and it calculates all electronic states from core electrons to valence electrons. It deals with calculation methods such as the GW method, and also deals with parallel calculations. It can execute with high accuracy molecular dynamics calculations for electronic excited states based on time dependent density functional theory.

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