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@kcl-tscm

kcl-tscm

King's College London - Theory & Simulation of Condensed Matter

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  1. mff mff Public

    A Python package for building nonparametric force fields from machine learning

    Jupyter Notebook 16 2

  2. LoDiS LoDiS Public

    A FORTRAN90 Classical Molecular Dynamics package for simulating nanocluster evolution

    Fortran 4

  3. pyscf2gfn pyscf2gfn Public

    Parser code written in Python for using GFn-XTB as a relaxation engine for providing relaxed structures to PySCF directly within the same script

    Python 4 1

  4. Young_instructions Young_instructions Public

    This module has been designed to offer a simple introduction and repository of simple files for submitting jobs using Young.

    Makefile 3 1

  5. quip-tutorial-2018-notebooks quip-tutorial-2018-notebooks Public

    Jupyter Notebook 2 1

  6. AIGen- AIGen- Public

    Automatic INput GEnerator

    Python 1

Repositories

Showing 10 of 17 repositories
  • Young_instructions Public

    This module has been designed to offer a simple introduction and repository of simple files for submitting jobs using Young.

    kcl-tscm/Young_instructions’s past year of commit activity
    Makefile 3 1 0 0 Updated Mar 21, 2024
  • Sapphire Public

    Post - Processing Software

    kcl-tscm/Sapphire’s past year of commit activity
    Python 0 GPL-3.0 0 0 1 Updated Jan 23, 2023
  • cp2k_stm Public

    STM repository

    kcl-tscm/cp2k_stm’s past year of commit activity
    Python 0 0 0 0 Updated Sep 16, 2022
  • md_tra Public

    Md trajectory

    kcl-tscm/md_tra’s past year of commit activity
    0 0 0 0 Updated Jul 27, 2022
  • fullerene_breathing Public
    kcl-tscm/fullerene_breathing’s past year of commit activity
    0 0 0 0 Updated Jan 20, 2022
  • LoDiS Public

    A FORTRAN90 Classical Molecular Dynamics package for simulating nanocluster evolution

    kcl-tscm/LoDiS’s past year of commit activity
    Fortran 4 Apache-2.0 0 0 0 Updated Feb 24, 2021
  • AIGen- Public

    Automatic INput GEnerator

    kcl-tscm/AIGen-’s past year of commit activity
    Python 1 0 0 0 Updated Nov 20, 2020
  • pyscf2gfn Public

    Parser code written in Python for using GFn-XTB as a relaxation engine for providing relaxed structures to PySCF directly within the same script

    kcl-tscm/pyscf2gfn’s past year of commit activity
    Python 4 GPL-3.0 1 0 0 Updated Oct 11, 2020
  • python_tools Public

    Different set of tools created for enhancing capabilitiies of numerical calculations such as compiled versions of blas functions using cython

    kcl-tscm/python_tools’s past year of commit activity
    0 GPL-3.0 0 0 0 Updated Oct 1, 2020
  • mff Public

    A Python package for building nonparametric force fields from machine learning

    kcl-tscm/mff’s past year of commit activity
    Jupyter Notebook 16 Apache-2.0 2 0 0 Updated Feb 12, 2020
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