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Molecular simulation of Hydrogen storage on porous structures

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Name		Name	Last commit message	Last commit date
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forcefield		forcefield
molecules		molecules
tasks		tasks
10.cif		10.cif
20.cif		20.cif
30.cif		30.cif
40.cif		40.cif
README.md		README.md
simulation.input		simulation.input

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simulation_project

Molecular simulation of Hydrogen storage on porous structures using Python, Bash, and iRASPA package.

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Molecular simulation of Hydrogen storage on porous structures

python python-library simulation-modeling bash-scripting

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