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1. alc_eqcm alc_eqcm Public

   Forked from stfc/alc_eqcm

   This program performs post-processing of EQCM data to the purpose of electrochemical characterization and building of atomistic models compatible with experiments.

   Fortran

2. alc_trajectory alc_trajectory Public

   Forked from stfc/alc_trajectory

   A code to compute orientational correlation functions (from MD trajectories) for reactive and non-reactive systems whose sizes are compatible with DFT simulations. For reactive systems, it is also …

   Fortran

3. Euphonic Euphonic Public

   Forked from pace-neutrons/Euphonic

   Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intensities from force constants.

   Python

4. alc_fact alc_fact Public

   Forked from stfc/alc_fact

   This is an automatic tool to fit atomistic correlations using the GNUPLOT software. The fitting parameters are used to extract information of the orientational dynamics and transfer events.

   Fortran

5. alc_art alc_art Public

   Forked from stfc/alc_art

   A tool to extract orientational anisotropies and transfer correlations from Molecular Dynamics trajectories of reactive systems.

   Fortran

6. alc_moses alc_moses Public

   Forked from stfc/alc_moses

   A software tool that generates atomistic models of electrified interfaces automatically, together with input files for Density Functional Theory (DFT) simulations of such interfaces, including the …

   Fortran