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Generic adaptive resolution simulation tool

GPL-3.0 license

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Name		Name	Last commit message	Last commit date
Latest commit History 51 Commits
adresslab		adresslab
examples/water2		examples/water2
LICENSE		LICENSE
README.md		README.md
TODO		TODO
start_simulation		start_simulation
start_simulation_at		start_simulation_at

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AdResSLab

Generic adaptive resolution simulation tool

Structure:

start_simulation - standalone Python code for AdResS simulation
start_simulation_at - standalone Python code for atomistic simulation
doc/ - the sphinx documentation
adresslab/ - the main code
examples/ - the set of examples

Requirements

Currently, it requires ESPP from the branch devel: https://github.com/MrTheodor/espressopp/tree/devel

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Generic adaptive resolution simulation tool

GPL-3.0 license

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Python 100.0%