Potentials

Latest version: v0.3.8

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0.3.8

- auto_set_pid_off option added to the record upload options to turn off the
associated CDCS database setting to avoid database errors.
- Support has been added to the potential_LAMMPS record class and builders for
the URL fields that become the PID values for the records once uploaded.
- Depreciation fix for importlib.
- Bug fix related to finding no matching records.
- Bug fix to make int symbol values be str.

0.3.7

- Record objects are updated allowing for each to be assigned a default
database object from which record methods can retrieve additional database
content as needed.
- A new parameter file builder tool has been added for ADP potentials.

0.3.6

- Code adjustments related to yabadaba 0.2.0 updates to Query handling.
The parameters supported by query operations can now be viewed with
querydoc.

0.3.5

- URL fields added to Potential and BasePotentialLAMMPS records which are
used as PIDs on potentials.nist.gov, i.e. permanent hyperlinks for the
records.
- XSL and XSD representations updated to coincide with record structure and
how the records are viewed on potentials.nist.gov.
- pytests (barely) started.

0.3.4

- Typing hints added throughout the code.
- Random bug fixes and docstring typo fixes.

0.3.3

- The underlying datamodelbase module is now moved to the new separate
yabadaba package. Tons of minor updates associated with this and new
yabadaba features.
- Random bug fixes.

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