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NanoCatalysis

Optimization algorithms

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  1. Basin_Hopping_FHI-aims Basin_Hopping_FHI-aims Public

    C++ Basin Hopping algorithm coupled with FHI-aims

    C++ 2

  2. Basin-Hopping Basin-Hopping Public

    Forked from andoresu47/Basin-Hopping

    Implementation of a Basin Hopping Monte Carlo (BH) global optimization algorithm for supported metal nanoalloys. Works in conjunction with Quantum Espresso.

    Python

  3. BH-VASP BH-VASP Public

    Forked from J-Fabila/BH-VASP

    Basin Hopping Algorithm coupled with VASP DFT software for geometry optimization of metal nanoclusters

    Shell

  4. Atomic.h Atomic.h Public

    A C/C++ library for simulation of atoms and molecules

    C++ 1

  5. VASP_to_XYZ VASP_to_XYZ Public

    Forked from J-Fabila/VASP_to_XYZ

    How to convert POSCAR (VASP) to xyz and viceversa

    C++ 1

  6. DOS-PDOS DOS-PDOS Public

    Forked from J-Fabila/DOS-PDOS

    Shell

Repositories

Showing 10 of 11 repositories
  • ga_FHIAIMS Public
    NanoCatalysis/ga_FHIAIMS’s past year of commit activity
    Python 0 0 0 0 Updated Sep 7, 2021
  • NanoCatalysis/occupation-prob’s past year of commit activity
    Python 0 0 0 0 Updated Jun 8, 2021
  • NanoCatalysis/Genetic-Algorithm’s past year of commit activity
    C++ 0 1 0 0 Updated Oct 15, 2020
  • NanoCatalysis/Plot-PROCAR-DOSCAR-VASP’s past year of commit activity
    Shell 0 1 0 0 Updated Oct 11, 2020
  • Basin_Hopping_FHI-aims Public

    C++ Basin Hopping algorithm coupled with FHI-aims

    NanoCatalysis/Basin_Hopping_FHI-aims’s past year of commit activity
    C++ 2 0 0 0 Updated Oct 6, 2020
  • MolecularAdsorption Public Forked from J-Fabila/MolecularAdsorption

    This is a C-Bash code to generate initial configurations for the study of adsorption of molecules in metallic clusters

    NanoCatalysis/MolecularAdsorption’s past year of commit activity
    Shell 0 GPL-3.0 1 0 0 Updated Aug 2, 2020
  • Atomic.h Public

    A C/C++ library for simulation of atoms and molecules

    NanoCatalysis/Atomic.h’s past year of commit activity
    C++ 0 GPL-3.0 1 0 0 Updated Jun 27, 2020
  • VASP_to_XYZ Public Forked from J-Fabila/VASP_to_XYZ

    How to convert POSCAR (VASP) to xyz and viceversa

    NanoCatalysis/VASP_to_XYZ’s past year of commit activity
    C++ 0 GPL-3.0 9 0 0 Updated May 29, 2020
  • BH-VASP Public Forked from J-Fabila/BH-VASP

    Basin Hopping Algorithm coupled with VASP DFT software for geometry optimization of metal nanoclusters

    NanoCatalysis/BH-VASP’s past year of commit activity
    Shell 0 GPL-3.0 2 0 0 Updated Jan 14, 2020
  • DOS-PDOS Public Forked from J-Fabila/DOS-PDOS
    NanoCatalysis/DOS-PDOS’s past year of commit activity
    Shell 0 1 0 0 Updated Dec 9, 2019

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