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🟡 Changes recommended
The updated tuning parameter is still documented inconsistently/ambiguously in the touched code, which can mislead future maintenance of a behavior-critical constant.
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Pull request overview
This pull request adjusts the smoothing/tuning constant used when reducing the electric-field components in reduce_Exyz and reduce_Exyz_2, increasing a from 11. to 500. to change the behavior of the exp(x^2/a) damping used in the E-field reduction.
Changes:
- Increased the local constant
afrom11.to500.inreduce_Exyz. - Increased the local constant
afrom11.to500.inreduce_Exyz_2.
File summaries
| File | Description |
|---|---|
src/integrals/integrals.cpp |
Updates the E-field reduction smoothing parameter a in two reduction kernels. |
Review details
Suppressed comments (1)
src/integrals/integrals.cpp:4284
- This is the same tuning parameter used in reduce_Exyz but without any explanation here; add a brief comment describing what it controls (exp(x^2/a) smoothing) to avoid future accidental divergence/misuse.
const double a = 500.;
- Files reviewed: 1/1 changed files
- Comments generated: 1
- Review effort level: Lite
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This pull request makes a targeted parameter adjustment in the
src/integrals/integrals.cppfile. Specifically, it increases the value of the constantafrom 11. to 500. in two functions. This change impacts the static electric field.