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structure

Usage: structure [ -infile fileName ] | [ -outfile fileName ]

The structure command initializes Alamode's mesh and field representation from a 1D structure file or saves the current field values to a 1D structure file. See Appendix 5 for format of this structure file.

The 1D structure file allows for multiple material regions with the same set of fields supported in each material, even if it doesn't make sense to have such a field in the material (e.g. silicon vacancy in a oxide material). The storage format considers all fields at interfaces to be discontinuous. The names for materials and fields are specified as strings in the file.



Dan Yergeau
Wed Aug 20 14:01:54 PDT 1997