Extending engine to use CUDS

simphony / simphony-lammps

The LAMMPS engine-wrapper for the SimPhoNy framework

http://www.simphony-project.eu/

BSD 2-Clause "Simplified" License

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Extending engine to use CUDS #106

Closed nathanfranklin closed 7 years ago

nathanfranklin commented 8 years ago

It adds Material class (which will be added to simphony-common). For lammps-md, this means:

Each particle is made of a certain material (particle.data[CUBA.MATERIAL_TYPE]=material.uid)
Each material containes some attributes (material.data[CUBA.MASS] = 1.0)

This addresses parts of #104

nathanfranklin commented 8 years ago

@mehdisadeghi , this contains the start of the work from step #0 that we discussed earlier (i.e. using MATERIAL_TYPE/int to CUBA.MATERIAL/uuid). It also contains the start of using materials for some DEM-related work (see for example f11be0a )

mehdisadeghi commented 8 years ago

@nathanfranklin thanks for the great tips Nathan! I feel now confident enough to handle this task :)

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mehdisadeghi commented 7 years ago

@nathanfranklin Hi Nathan! I should have merged this PR long long time ago, but I was distracted by other stuff. In general I love merging PRs super quickly, it encourages contribution. Anyway, here you are!