Repositories list

• clandpol

  Public
  Polarisable force field for ionic liquids

  molecular-dynamicsforce-fieldionic-liquids+ 1drude-induced-dipoles

  Python

  •17•12•1•0•Updated Nov 8, 2024Nov 8, 2024

• fftool

  Public
  Tool to build force field input files for molecular simulation

  molecular-dynamicslammpsforce-field+ 1packmol

  Python

  •

  MIT License

  •59•156•0•0•Updated Oct 17, 2024Oct 17, 2024

• pol_openmm

  Public
  Create input files with polarisable force field for OpenMM

  Python

  •3•2•0•0•Updated Oct 14, 2024Oct 14, 2024

• clandp

  Public
  Force field for ionic liquids

  molecular-dynamicsforce-fieldionic-liquids+ 1fftool

  MIT License

  •35•60•0•0•Updated Jul 25, 2024Jul 25, 2024

• gassol

  Public
  Data acquisition for volumetric gas solubility apparatuses

  Python

  •0•1•0•0•Updated Dec 7, 2023Dec 7, 2023

• tutorial-conda

  Public
  How to install a conda environment for the group's tools and codes

  0•1•0•0•Updated Sep 30, 2023Sep 30, 2023

• hmix

  Public
  Fit of Redlich-Kister to ITC data

  Python

  •0•0•0•0•Updated Apr 1, 2023Apr 1, 2023

• tutorial-lmp

  Public
  Running a molecular simulation with the polarizable force field in LAMMPS

  2•15•0•0•Updated Jan 9, 2023Jan 9, 2023