Version 0.10.3 or earlier

  • [2022 May 17] version 0.10.3 released
    • Bug fixed: LAMMPS IO.
  • [2022 January 24] version 0.10.2 released
    • Added nrot: maximum number of times to rotate molecules in mol_bs
  • [2021 September 30] version 0.10.1 released
    • Fixed the problem of numpy.random.seed in multiprocessing
  • [2021 July 25] version 0.10.0 released
    • Support PyXtal 0.2.9 or later
    • LAQA can be used with QE
    • Upper and lower limits of energy for EA and BO
  • [2021 July 13] paper published
    • Our paper on CrySPY software has been published in STAM:Methods
  • [2021 March 18] version 0.9.2 released
    • Support pymatgen v2022.
  • [2021 February 7] version 0.9.0 released
    • Interfaced with OpenMX
    • Employ PyXtal library to generate initial structures
    • If you use PyXtal (default), find_wy program is not required
    • LAQA can be used with soiap
    • Change the name: [lattice] section –> [structure] section
    • Several input variables move to [structure] section
      • natot: [basic] –> [structure]
      • atype: [basic] –> [structure]
      • nat: [basic] –> [structure]
      • maxcnt: [option] –> [structure]
      • symprec: [option] –> [structure]
      • spgnum: [option] –> [structure]
    • New features
      • Molecular crystal structure generation
      • Scale volume
  • [2020 March 19] paper published
  • [2020 February 16] version 0.8.0 released
    • Migrate to Python 3
    • CrySPY logo created
    • Change several variable names and data formats
    • Change style of output for energy: eV/cell –> eV/atom
    • IDs of working directories corresponds to structure IDs
    • New features
      • recalculation
      • manual select in BO
  • [2018 December 5] version 0.7.0 released
    • New features
      • Evolutionary algorithm
  • [2018 August 20] version 0.6.4 released
  • [2018 July 2] version 0.6.3 released
  • [2018 June 26] Version 0.6.2 released
  • [2018 March 1] Version 0.6.1 released
  • [2018 January 9] paper published