aiidalab / aiidalab/aiidalab-qe
Accuracy/precision language
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- Python
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- 6 小时 7 分钟
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描述
From @giovannipizzi:
"...everywhere we should not speak of accuracy that it's usually used to refer to correctness wrt experiment, but of precision, i.e. wrt a fully converged calculation with correct pseudos etc (ie, getting to the "correct" dft results). This should be checked a bit everywhere."
Leaving here as a reminder to address soon
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