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@ispg-group

In sillico photochemistry group

Basile F. E. Curchod's Research Group on Nonadiabatic Dynamics

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  1. openfms openfms Public

    OpenFMS: ab initio multiple spawning for the masses

    Fortran 12 3

  2. best-practices-namd best-practices-namd Public

    Best practices Guide on nonadiabatic molecular dynamics

    TeX 10 2

  3. aiidalab-ispg aiidalab-ispg Public

    ATMOSPEC: ab initio UV/vis spectroscopy for everyone

    Python 10 6

Repositories

Showing 10 of 12 repositories
  • aiidalab-ispg Public

    ATMOSPEC: ab initio UV/vis spectroscopy for everyone

    ispg-group/aiidalab-ispg's past year of commit activity
    Python 10 MIT 6 55 7 Updated Sep 4, 2026
  • openfms Public

    OpenFMS: ab initio multiple spawning for the masses

    ispg-group/openfms's past year of commit activity
    Fortran 12 MIT 3 18 2 Updated Aug 21, 2026
  • harmonwig Public

    Harmonic Wigner sampling of molecules from ab initio QM calculations

    ispg-group/harmonwig's past year of commit activity
    Python 4 MIT 1 5 1 Updated Aug 4, 2026
  • aiidalab-ispg-docker-stack Public

    Dockerfile for ATMOSPEC AiidaLab app

    ispg-group/aiidalab-ispg-docker-stack's past year of commit activity
    Shell 0 MIT 1 5 0 Updated Jul 29, 2026
  • pydynpost Public

    Postprocessing tools for nonadiabatic molecular dynamics methods

    ispg-group/pydynpost's past year of commit activity
    Python 3 MIT 3 1 2 Updated Jul 19, 2026
  • QuantumModelLib Public Forked from lauvergn/QuantumModelLib

    This module enables to use potentials extracted from the literature. It has the following features: * One or several degrees of freedom * One or several electronic states * For each electronic state, the energy, gradient and hessian can be obtained in the diabatic or adiabatic representations

    ispg-group/QuantumModelLib's past year of commit activity
    Fortran 0 3 0 0 Updated Jun 22, 2026
  • fms90-redux-manual Public

    Manual for the open source version of the fms90 code.

    ispg-group/fms90-redux-manual's past year of commit activity
    TeX 0 0 0 0 Updated Apr 24, 2026
  • best-practices-namd Public

    Best practices Guide on nonadiabatic molecular dynamics

    ispg-group/best-practices-namd's past year of commit activity
    TeX 10 2 1 1 Updated Jan 22, 2026
  • PyNEAppLES Public Forked from stepan-srsen/PyNEAppLES

    Tools for performing electronic spectra simulations using the nuclear ensemble approach/method (NEA/NEM).

    ispg-group/PyNEAppLES's past year of commit activity
    Python 0 MIT 3 0 1 Updated May 19, 2025
  • bagel Public Forked from qsimulate-open/bagel

    Brilliantly Advanced General Electronic-structure Library

    ispg-group/bagel's past year of commit activity
    C++ 0 GPL-3.0 48 0 0 Updated Mar 31, 2025
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