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rayhe88/README.md
  • 👋 Hi, I’m @rayhe88
  • 👀 I’m interested in Quantum and Computational Chemistry

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  1. hindRotor hindRotor Public

    Project in C++ for hindered Rotors

    C++ 2

  2. cube3D cube3D Public

    Find critical points and bond path in a density cube

    C 1

  3. pyCosito pyCosito Public

    A workflow for testing PWDFT and QE codes in Aurora/Sunspot

    Python

  4. OrbSycl OrbSycl Public

    A program that evaluate a scalar field (orbital) using SYCL

    C++