NOMAD Metainfo refactor

There should be some coordinated effort to clean up the NOMAD Metainfo

  • parser specific metainfo should really be parser specific ... there are some that miss the x_... prefix
  • only have one common code file/package for computational
  • have an extra package for workflows
  • refactor names, make use of aliases
  • get rid of sampling method and frame sequence
  • remove repeats were applicable
  • add derived for normalised quantities
  • analyse which quantities are not used at all via ES
  • how to deal with "external" references (to other archive objects, to binary files, and files in general)
  • a set of public metadata for "elastic" properties (#407 (closed))
  • a set of public md properties
  • further classification of non crystalline systems (e.g. amorphous solids/glass)

Related to: #308 (closed), #289 (closed), #358 (closed), #407 (closed)

Edited Sep 04, 2021 by Markus Scheidgen
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