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@NanoCatalysis

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

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