Summary

Major changes:

• feature 1: Method to_jdftxinfile for JDFTXOutfile(Slice)
  -- Uses internal JDFTXInfile and Structure to create a new JDFTXInfile object that can be ran to restart a calculation
• feature 2: Method strip_structure_tags for JDFTXInfile
  -- Strips all structural tags from a JDFTXInfile for creating equivalent JDFTXInfile objects with updated associated structures
• fix 1: Changing 'nAlphaAdjustMax' shared tag from a FloatTag to an IntTag
• fix 2: Adding an optional minval field for certain FloatTags which prevent writing error-raising values
  -- Certain tag options in JDFTx can internally be the minimum value, but trying to pass the minimum value will raise an error

Todos

• feature 1: Testing for the to_jdftxinfile
  -- I know the function works from having used it, but I haven't written in an explicit test for it yet.
• fix 2: Look through JDFTx source code and identify all the numeric tag value boundaries and add them to the FloatTag. This will likely require generalizing how boundaries are tested as a quick glance (see here) shows there are tags that actually do use the >= operator
• Unrelated: Reduce bloat in outputs module
  -- Remove references to deprecated fields
  -- Begin phasing out redundant fields
  --- i.e. JDFTXOutfile.lattice redundant to JDFTXOutfile.structure.lattice.matrix
  -- Generalize how optimization logs are stored in outputs module objects
  --- Fields like grad_K are part of a broad group of values that can be logged for an optimization step, and the fields present in each log varies a lot more than I previously thought when I initially wrote the JDFTx outputs module. Generalizing how these are stored into a dictionary of arbitrary keys should make the outputs module more robust, as well as helping reduce the bloat in the outputs module.