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  • University College London
  • London

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  • FITPES_CH3OH Public

    Fitting PES of CH3OH

    Fortran MIT License Updated Jul 16, 2024

  • exocross Public

    Fortran 2003 code to generate molecular spectra, partition functions, lifetimes, cooling functions etc using ExoMol line lists

    physics molecules spectroscopy
    Fortran 8 6 MIT License Updated Jul 15, 2024

  • TROVE Public

    Theoretical ROVibrational Energies: A variational program for accurate nuclear motion calculations

    Fortran 11 8 GNU General Public License v3.0 Updated Jul 14, 2024

  • Duo Public

    Duo is a diatomic code for solving a fully coupled rovibronic Schroedinger equation

    Fortran 13 10 Updated Jul 14, 2024

  • trove-tutorial Public

    TROVE documentations

    Python Updated Apr 24, 2023

  • ABtoC Public

    RENNER to MORBID intensities for a triatomic

    Fortran GNU General Public License v3.0 Updated Nov 6, 2022

  • Everest_fit Public

    Refinement of PESs using EVEREST energies

    Fortran Updated Mar 14, 2022

  • PDSYEV Public

    Diag_PDSYEV is a benchmark code for diagonalising a symmetri dense real random valued matrix

    Fortran 2 Updated May 18, 2021

  • TROVE-benchmarks Public

    A set of input and output files for benchmarking the TROVE calculations

    Roff Updated Feb 24, 2021

  • metaphors Public

    Using wordnet and python to buid metaphors

    Jupyter Notebook Updated Sep 20, 2019

  • CH3-IR Public

    CH3-IR paper

    TeX Updated Mar 26, 2019

  • ExoCross-examples Public

    A set of examples for ExoCross

    Batchfile MIT License Updated Jan 26, 2019

  • curviTROVE Public

    Curevlinear version of TROVE extended by Andrey Yachmenev

    Fortran 1 Updated Sep 22, 2018

  • NH3_DMS_JCP_2005 Public

    An ATVZ DMS of NH3 from J.Chem.Phys. 122, 104317 (2005).

    Fortran GNU General Public License v3.0 Updated Sep 8, 2018

  • diag Public

    Fortran Updated Aug 29, 2018

  • SFIT_DVR3D Public

    SFIT_DVR3D

    Fortran 1 MIT License Updated Jul 31, 2018

  • fitpes_XY2 Public

    Fortran code to fit XY2 PESs

    Fortran Updated Jul 7, 2018

  • linenlist_TROVE Public

    Convert TROVE line lists to the ExoMol format

    Fortran Updated Jun 12, 2018

  • bib Public

    BibTex library of ExoMol

    TeX 1 1 Updated Feb 2, 2018

  • trovemaster.github.io Public

    Website

    HTML 1 Updated Jun 8, 2017

  • github.io Public

    TROVE Website

    CSS Other Updated Jun 8, 2017