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On study stay in Finland till July
:shipit:
On study stay in Finland till July
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  1. xrdlicious xrdlicious Public

    Online calculator of partial radial distribution function (PRDF), global RDF, and XRD/ND patterns for crystal structures.

    Python 1

  2. VASP_scripts VASP_scripts Public

    Collection of useful bash and python scripts for preparing calculations with VASP

    Python 2

  3. atat-sqs-gui atat-sqs-gui Public

    Interactive interface for preparing and analyzing files for generation of special quasi-random structures (SQS) using ATAT mcsqs

    Python

  4. Creating-Surface-Slab-using-ASE Creating-Surface-Slab-using-ASE Public

    Python script that creates surface slab using ASE

    Python 2

  5. convergence-vasp-gui convergence-vasp-gui Public

    GUI for automatic creation of POTCAR for POSCAR and calculations energy cut-off (Ecut) and k-space sampling convergence in VASP.

    Python

  6. mace-md-gui mace-md-gui Public

    GUI for running molecular dynamics/static simulations with MACE interatomic potential

    Python 1