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Ali-Tehrani avatar Ali-Tehrani commented on September 26, 2024 1

I doubt it will be a problem at all, since GBasis will only go up to like 7-11!! and the performance advantages from vectorization are much greater

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PaulWAyers avatar PaulWAyers commented on September 26, 2024

@Ali-Tehrani is this also going to be an issue in GBasis?

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D-TheProgrammer avatar D-TheProgrammer commented on September 26, 2024

Sorry to bother you after all this time. I've been really busy. I apologize for asking you this now, but could you please explain to me how I can use a file test from 'iodata/test' ?
I've tried using the simple command 'python3 common.py', but it doesn't seem to work.

image

I initially thought it was a problem because the 'setup.py' was in the root directory of the project. So, I attempted this command instead: 'python3 -m iodata.test.common.py', but unfortunately, it didn't work either.

Once again I am sorry to asking you this @Ali-Tehrani

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Ali-Tehrani avatar Ali-Tehrani commented on September 26, 2024

No worries, if you want to run in the format you specified, you should be removing the .py and be in the iodata directory:

python3 -m iodata.test.common

However, I would recommend to use pytest instead to see that the tests pass like so:

pytest -v -s ./iodata/test/*.py   # -s means it prints while it runs

Adding -s makes it easier to debug and see what's being printed. Good luck, let me know if you have any other questions!

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