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simphony / simphony-metadata

[LEGACY] This repository contains the metadata definitions used in SimPhoNy project.
BSD 2-Clause "Simplified" License
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Missing CUBA and corrections needed for the cuba.yml and simphony_metadata.yml #18

Closed kitchoi closed 8 years ago

kitchoi commented 8 years ago

I had to make these changes to the yaml files in order to pass tests in #17 locally cuba.yml: https://gist.github.com/kitchoi/1815eeef45356a2eac0551845eea837c

simphony_metadata.yml https://gist.github.com/kitchoi/aee20170f5d5690c95c153272a669a26

@ahashibon, @tuopuu Can you have a look please?

kitchoi commented 8 years ago

This one probably also needs fixing: Can't assign a single value to something with shape = (2), either we get rid of default, or modify the default, or the shape for this one.

  SURFACE_TENSION_RELATION:
    parent: CUBA.MATERIAL_RELATION
    definition: Surface tension relation between two fluids
    models: [CUBA.CONTINUUM]
    CUBA.SURFACE_TENSION:
      default: 0.07
      scope: CUBA.USER
      shape: (2)
kitchoi commented 8 years ago

In the existing material relations (LennardJones_6_12 etc) in simphony-common, the Allowed number of materials is 1 or 2 (see bottom of http://simphony.readthedocs.io/en/master/cuds_definition.html). Shouldn't PAIR_POTENTIAL reflect this as well? Currently, PAIR_POTENTIAL.MATERIAL has a shape of (2), that is, strictly, two materials.