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Improvements 1 #1

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4 of 9 tasks

Shibu778 opened this issue Oct 23, 2024 · 0 comments

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Shibu778 commented Oct 23, 2024 •

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TODO

Use dataclass to define the input datatypes and remove init in the class. #2
Take gaussian function in the class to a later point to manage the chronology.
Line 232 use length variable.
Line 419 change sum to np.sum
Add ZPL reading functionality #3
Add interface for QE #4
Add functionality to dump data #5
Add functionality to visualize the phonon modes #6
After having the dumped file read the dump file to do the plotting and other steps. Do not recalculate. #7

Shibu778 closed this as completed

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