What’s new!

Latest version

  • Added Kinetic Monte Carlo support

  • Fixed incompatibility with spglib v.1.5. Please install old version spglib==1.14.1.post0 for pre 1.0 versions of SuSMoST

  • Upgraded supported Python version to 3.8, supported OpenMPI version to 4.0

version 1.0

  • CUDA implementation of TRG

  • TRG by four 3-legged tensors with matrix-free SVD (Morita et al)

  • Added video tutorial for SuSMoST installation

  • Create samples with lattice vectors that are non collinear with surface unit cell lattice vectors

  • Support of joined states made by a couple of adsorption complexes in a single unit cell

  • ASE Espresso usage for lateral interactions computation

  • Added tutorials for Langmuir and binary gas mixture model with Monte Carlo and transfer-matrix methods

  • Added numerous models

  • Builds for multiple distribution: Centos7, Ubuntu Bionic, Debian Stable and Testing

  • Calculation of lattice state fingerprints for genetic algorithms

version 0.4

  • Improved user-friendliness

  • Improved code stabiliy and tollerance to input mistakes

  • API simplified

version 0.3

  • Transition to Python 3

  • Symmetry-based generation of lattice task from XYZ-files of adsorption complexes

  • Mean field and quasichemical approximation method added

  • Autocorrelation functions analysis added for Metropolis algorithm

version 0.2

  • Wang Landau implemented

  • Example for Temperature Programmed Desorption spectra calculation added