MMSP

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

A collection of C++ interfaces for simulation of mesoscale properties based on grid data. By using provided header files, one can easily construct programs for simulation of various phenomena such as solidification, crystal growth, and spinodal decomposition, based on a Monte Carlo method, cellar automaton, and a phase-field method. This interface supports parallel computing by MPI, and also provides converters of output files for visualization software such as ParaView.

To Detail

mVMC

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

A low-energy solver for a wide ranger of quantum lattice models (multi-orbital Hubbard model, Heisenberg model, Kondo-lattice model) by using variational Monte Carlo method. User can obtain high-accuracy wave functions for ground states of above models. Users flexibly choose the correlation factors in wavefunctions such as Gutzwiller, Jastrow, and doublon-holon binding factors and optimize more the ten thousand variational parameters. It is also possible to obtain the low-energy excited states by specifying the quantum number using the quantum number projection.

To Detail

mptensor

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

Parallel C++ Library for tensor network methods. This library provides common operations, including tensor contraction and singular value decomposition and supports a similar interface as Numpy and Scipy in Python.

To Detail

MateriApps Installer

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

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.

To Detail

Mm2cML

  • Level of openness 0 ☆☆☆
  • Document quality 2 ★★☆

Mm2cML is a web application that structure files can be generated from molecular model images. By carrying out three-dimensional reconstruction using OpenMVG and OpenMVS from molecular model images photographed by smartphones or digital cameras, and arranging atoms on the basis of them, users can obtain structure files (CML format) usable for molecular simulation. The simulation can be carried out on the basis of the structure examined using the molecular model in the real world.

To Detail

Molden

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

An open-source application for pre- and post-processing for quantum chemistry calculation. This application can handle outputs from Gaussian, GAMESS, and MOPAC as well as the result of other applications via the Molden format. It supports many graphical interfaces such as Postscript, XWindows, VRML, and OpenGL, and performs visualization of molecular orbitals and electron density. It also produces animation videos of molecular vibration.

To Detail

MLIP

  • Level of openness 1 ★☆☆
  • Document quality 2 ★★☆

Software package that implements moment tensor potentials. Potentials can be trained and used for molecular dynamics calculations using LAMMPS. Active learning combined with molecular dynamics calculations is also available.

To Detail

Maxent

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

Tool for performing analytical continuation for many-body Green’s functions by using the maximum entropy method. From the data of the Green functions on the imaginary axis, users can obtain the values of the Green’s functions on the real axis. This tool supports the several different Green’s functions (Bozonic, Fermionic, anomalous, etc.).

To Detail

Molekel

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

An open-source application for molecular modeling and visualization. This application supports data formats of Gaussian, GAMESS, ADF, and Molden, and has various options for drawing such as orbital, electron density, solvent accessible surface, van der Waals radii, and so on. It implements high-speed and high-quality rendering technology, and runs on Windows, Mac, and Linux.

To Detail

MultiPie

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

A Python library for manipulating  symmetry operations and automatically generating symmetry-adapted multipole basis (SAMB) based on crystallographic point and space groups. By using QtDraw, users can also visualize the output of this library.

To Detail