Simon Gravelle's repositories
lammps-input-files
LAMMPS inputs and data files
simongravelle.github.io
Simple academic theme for scientist personal page
PEGgenerator
Generate PEG topology for GROMACS and LAMMPS
python-for-lammps
Python scripts for dealing with molecular dynamics script for LAMMPS
atb2lammps
Convert files from the ATB repository to LAMMPS format
gromacs-input-files
GROMACS input files
how-to-lammps
How-to perform LAMMPS simulations
GOMC-inputs
Input script for Monte Carlo (GCMC) simulations
pyplot-perso
Personal functions for making Pyplot Python figures
LAMMPS-molecules
Template of molecule for LAMMPS
DOS-VACF-LAMMPS
Python script for calculating vibrational density of states (DOS) from LAMMPS dump file
publication-data
Data from recent publications
read-lammps-data
Python script allowing to import LAMMPS data file
simongravelle
README file for Github profile
thematic-school-soft-nanosciences-2023
LAMMPS simulations used during the2023 thematic school
HEWL-in-water
Raw data files for NMRforMD
lammpstutorials-old-solutions
Previous solution to the LAMMPS tutorials exercises
lennard-jones-fluid
Raw data files for NMRforMD
polymer-in-water
Raw data files for NMRforMD
sphinx-example
Minimal Python example to illustrate the use of Sphinx.
water-in-silica
Raw data files for NMRforMD