Add pressure and temperature calculations for lattice parameters#593

Merged

saransh13 merged 26 commits intomasterfrom jcpds-reader

Jan 4, 2024

+941-221

Commits on Dec 19, 2023

organize code a little bit. All material related files are nor in the materials folder.

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compute pressure.

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more import path corrections.

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finish volume computation.

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compute the scaling factor for lattice parameter lengths.

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calculate lattice parameter as a function of pressure and temperature using the Birch-Murnaghan EOS.

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Rename "materials" package back to "material"
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Fix mistaken renaming
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Make changes needed to work with HEXRDGUI
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import path fix

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Hande I/O of 'k0', 'k0p' and 'v0'.

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add temperature variables to the material class

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I/O for material class with JCPDS parameters. Moved BM EOS functions to material class

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change np --> numpy

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Memoize the result of GenerateSGSym
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Change all "numpy" to "np" in material.py
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Add config for Black
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Run "black" on material.py
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Initialize v0 in the __init__ method if needed
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Several fixes and improvements to use with the GUI
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Set default LP factor to 1
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Compute lparms0 and pt_lp_factor
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Fix import paths for tests
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Commits on Dec 22, 2023

Fix pep8 issues
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Commits on Dec 29, 2023

Remove setting latticeParameters0
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Commits on Jan 3, 2024

Create aliases to import paths to fix old scripts
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