MD_scripts

Scripts to build structures and process data for LAMMPS runs, specifically using COMB & eCOMB

Name		Name	Last commit message	Last commit date
Latest commit History 12 Commits
README.md		README.md
build_oxides.py		build_oxides.py
charge3.py		charge3.py
displacement.py		displacement.py
frozen_layer.py		frozen_layer.py
make_vaspJob.py		make_vaspJob.py
plot_charge.py		plot_charge.py
plot_rdf.py		plot_rdf.py
plot_temp.py		plot_temp.py
read_TS.py		read_TS.py
read_timeStep.py		read_timeStep.py
runLAMMPS.sh		runLAMMPS.sh
seperate_layers.py		seperate_layers.py
solvate_slab.py		solvate_slab.py

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