ALPS is a numerical simulation library for strongly correlated systems such as magnetic materials or correlated electrons. It contains typicalsolvers for strongly correlated systems: Monte Carlo methods, exact diagonalization, the density matrix renormalization group, etc. It can be used to calculate heat capacities, susceptibilities, magnetization processes in interacting spin systems, the density of states in strongly correlated electrons, etc. A highly efficient scheduler for parallel computing is another improvement.
DCA++ is a software framework to solve correlated electron problems with modern quantum cluster methods. This code provides a state of the art implementation of the dynamical cluster approximation (DCA) and its DCA+ extension. As the cluster solvers, DCA++ provides the continuous-time auxiliary field QMC (CT-AUX) , the continuous-time hybridization expansion (CT-HYB) restricted to single-site problems, the high temperature series expansion (HTS) and the exact diagonalization(ED).
An exact diagonalization package for a wide range of quantum lattice models (e.g. multi-orbital Hubbard model, Heisenberg model, Kondo lattice model). HΦ also supports the massively parallel computations. The Lanczos algorithm for obtaining the ground state and thermal pure quantum state method for finite-temperature calculations are implemented. In addition, dynamical Green’s functions can be calculated using Kω, which is a library of the shifted Krylov subspace method. It is possible to perform simulations for real-time evolution from ver. 3.0.
Fortran codes for computing the specified k-th eigenvalue and eigenvector for generalized symmetric definite eigenvalue problems. Sylvester’s law of inertia is employed as the fundamental principle in computations, and the sparse direct linear solver (MUMPS) is used in the main routine. By inputting Hamiltonian and its overlap matrices, user can compute electron’s energy and its wave function in the specified k-th energy level.
An open-source program package for numerical diagonalization based on the Lanczos method, specialized for spin chains with unit spin magnitude, S=1. This package, which uses another open-source program package, TITPACK, calculates eigenenergies and eigenvectors of ground states and low-lying excited states of spin chains with finite length. By the subspace partitioning method, both memory and cpu-time requirements are considerably reduced.
A collection of shell scripts for installing open-source applications and tools for computational materials science to macOS, Linux PC, cluster workstations, and major supercomputer systems in Japan. Major applications are preinstalled to the nation-wide joint-use supercomputer system at Institute for Solid State Physics, University of Tokyo by using MateriApps Installer.
Debian Live Linux System that contains OS, editors, materials science application software, visualization tools, etc. An environment needed to perform materials science simulations is provided as a one package. By booting up on VirtualBox virtual machine, one can start simulations, such as the first-principles calculation, molecular dynamics, quantum chemical calculation, lattice model calculation, etc, immediately.
QDS (Quantum Dynamics Simulator) is a program for computing magnetization curves and spectra of electron-spin resonance (ESR) in molecular magnets. Input data of this program can be magnetic interactions, the shape of a molecule, etc. Calculation is carried out with the combination of exact diagonalization, the quantum master equation, and the Kubo formula. It can be chosen whether the dissipation exists or not in the calculations of dynamical magnetization curves.
A unified wrapper library for sequential and parallel versions of eigenvalue solvers. Sequential versions of dense-matrix diagonalization (LAPACK), parallel versions of dense-matrix diagonalization (EigenExa, ELPA, ScaLAPACK, etc.), and sequential/parallel versions of sparse-matrix diagonalization (SLEPc, Trilinos/Anasazi, etc.) can be installed quickly, and can be called from user’s program easily. Physical quantities written by eigenvalues or eigenvectors can also be evaluated by both sequential and parallel computation.
A free software library for numerical diagonalization of quantum spin systems. Although the programs are based on TITPACK, they have been completely rewritten in C/C++ and several extensions have been added. It can handle, for example, the Heisenberg model, the Hubbard model, and the t-J model. This library supports dimension reduction of matrices exploiting symmetries, and it can run in parallel computing environments.