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Merge pull request #218 from TheoChem-VU/217-missing-functionals
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217 missing functionals
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YHordijk authored Apr 29, 2024
2 parents 3ad6ef3 + 79cb3bf commit d67f5a3
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3 changes: 1 addition & 2 deletions examples/job/screen_functionals.py
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from tcutility.job import ADFJob
from tcutility.data import functionals
from tcutility import results, log
from yutility import pathfunc
from tcutility import results, log, pathfunc

# run the calculations:
available_functionals = functionals.get_available_functionals()
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