Module for using analytic ERI error as UQ #139
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jwaldrop107
approved these changes
Mar 20, 2025
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🚀 [bumpr] Bumped! New version:v0.0.28 Changes:v0.0.27...v0.0.28 |
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Description
This starts what I hope will become a general analytic UQ driver for integrals. The module wraps a call to a submodule such that the submodule is called once in high precision and once in a lower precision. The resulting tensor is the LOW precision values plus/minus the difference between the low precision and high precision values.
N.b. such a module is only useful for testing, as otherwise one would just use the higher precision result...
TODOs
None r2g.