Pymatgen

Latest version: v2024.6.10

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3.1.9

Not secure
* Fix scripts.

3.1.7

Not secure
* Bug fixes for MPRester.
* Ensure correct monty version requirement in setup.py.

3.1.6

Not secure
* Rudimentary PWSCF output reading.
* Fix ASE support.
* Support for WAVEDERF and reading multiple dielectricfunctions in vasprun.xml.
(Miguel Dias Costa)

3.1.5

Not secure
* Move vasp.vasp*put to vasp.*puts. Also, maintain backwards compatibility with
vaspio.vasp\_\*put

3.1.4

Not secure
* Fix missing yaml files that have been moved.

3.1.3

Not secure
* Major refactoring of pymatgen.io. Now, the io suffix is dropped from all io
classes. i.e., it is just pymatgen.io.vasp, not pymatgen.io.vaspio. Also, all
input sets have been moved within the relevant package, e.g.,
pymatgen.io.vasp.sets. All changes are backwards compatible for now. But
deprecation messages have been included which states that the stubs will be
removed in pymatgen 4.0. Pls migrate code when you see the deprecation
messages.
* Make Composition.anonymized_formula truly chemistry independent (No A2B2
for peroxides or A2 for diatomic gasses)
* Allowing CIF data\_\* header to be prefixed with spaces and tabulations.

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