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gabrielasd / pyeom

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[SRS] Correct user and program responsibilities #40

Closed gabrielasd closed 3 years ago

gabrielasd commented 3 years ago

fix_section3 1_codeimprovement

fix_section3 1

gabrielasd commented 3 years ago

Corrections made in commit f92335e12ec3bb9f3feeb3a7030a7d60a1a75825

gabrielasd commented 3 years ago

Pending to include memory resources management in program implementation

gabrielasd commented 3 years ago

I didn't get to include memory management before the project's final deadline (raising a MemoryError), but this is something I want to look more into (https://realpython.com/python-memory-management/, https://airbrake.io/blog/python/memoryerror). Also, the current implementation loads completely the integrals and RDM matrices in memory, but this could be done differently, using for example numpy.memmap (https://numpy.org/doc/stable/reference/generated/numpy.memmap.html)