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New Crystal parser

Lauri Himanen requested to merge new_crystal_parser into v0.9.8

Completely rewrote the Crystal parser using the new parser-framework. Added more comprehensive unit tests directly to the parser repository using pytest. Tested with 1200+ calculations from production.

Also added/improved the following:

  • Geometry optimization
  • Band structures
  • Density of states
  • Improved functional detection with fallback options
  • Fixed issues with periodic boundary detection
  • More reliable reading of input structure that takes into account supercell generation and substitutions
  • Handling of "ghost" atoms
  • Added support for atomic numbers in the NAT format.
  • Improved layout for parser-specific metainfo.

I added a few new convenience methods to nomad.atomutils, and slightly increased the parser_matching_size in

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