├── Fe.eam ├── README.md ├── frenkel_ladd ├── in.lmp ├── job.sh └── post_processing │ ├── integrate.py │ └── plot.py └── reversible_scaling ├── in.lmp ├── job.sh └── post_processing ├── integrate.py └── plot.py /Fe.eam: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/freitas-rodrigo/FreeEnergyLAMMPS/HEAD/Fe.eam -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/freitas-rodrigo/FreeEnergyLAMMPS/HEAD/README.md -------------------------------------------------------------------------------- /frenkel_ladd/in.lmp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/freitas-rodrigo/FreeEnergyLAMMPS/HEAD/frenkel_ladd/in.lmp -------------------------------------------------------------------------------- /frenkel_ladd/job.sh: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/freitas-rodrigo/FreeEnergyLAMMPS/HEAD/frenkel_ladd/job.sh -------------------------------------------------------------------------------- /frenkel_ladd/post_processing/integrate.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/freitas-rodrigo/FreeEnergyLAMMPS/HEAD/frenkel_ladd/post_processing/integrate.py -------------------------------------------------------------------------------- /frenkel_ladd/post_processing/plot.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/freitas-rodrigo/FreeEnergyLAMMPS/HEAD/frenkel_ladd/post_processing/plot.py -------------------------------------------------------------------------------- /reversible_scaling/in.lmp: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/freitas-rodrigo/FreeEnergyLAMMPS/HEAD/reversible_scaling/in.lmp -------------------------------------------------------------------------------- /reversible_scaling/job.sh: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/freitas-rodrigo/FreeEnergyLAMMPS/HEAD/reversible_scaling/job.sh -------------------------------------------------------------------------------- /reversible_scaling/post_processing/integrate.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/freitas-rodrigo/FreeEnergyLAMMPS/HEAD/reversible_scaling/post_processing/integrate.py -------------------------------------------------------------------------------- /reversible_scaling/post_processing/plot.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/freitas-rodrigo/FreeEnergyLAMMPS/HEAD/reversible_scaling/post_processing/plot.py --------------------------------------------------------------------------------