Multi-language utils modules that deal with interface with atomic simulations software, analysis of data, etc...
The current code provides data to deal with the following codes:
- CPMD
- Quantum Espresso
- LAMMPS
- PLUMED
- PIMAIM
Languages:
- Julia
- Python ( In progress - Based on ASE* )
- C++ ( In progress )
- Fortran ( In progress )
This software is currently developped by Mathieu Moog PhD, Post-Doc at Institut de Minéralogie de Physique des Matériaux et (IMPMC) de Cosmochimie de Sorbonne Université (SU).
Contact: mathieu.moog@sorbonne-universite.fr
*Atomic Simulation Environment