Add new P3M tuning options #5017
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Use the same variable names in P3M and DP3M influence functions, move their Brillouin limit to a template parameter, and improve their documentation. Avoid division by zero in ELC with constant potential.
This was referenced Dec 11, 2024
reinaual
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Dec 12, 2024
reinaual
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Dec 12, 2024
reinaual
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Dec 12, 2024
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| auto const pref1 = g1_DLC_dip(gc, lz - h); | ||
| auto const pref2 = g1_DLC_dip(gc, lz + h); | ||
| auto const pref0 = g1_DLC_dip(gc, lz); | ||
| auto const exp_term = 2. * gc * h; | ||
| auto const log_term1 = exp_term + std::log(9. * pref1); | ||
| if (exp_term >= exp_max or log_term1 >= log_max or -exp_term <= exp_min) { | ||
| // no solution can be found at larger k values due to overflow/underflow | ||
| break; | ||
| } | ||
| auto const fa0 = std::sqrt(9. * std::exp(+exp_term) * pref1 + | ||
| 9. * std::exp(-exp_term) * pref2 + 22. * pref0); |
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It's probably a task for a coding day, but I think we should investigate where the need for such large values comes from. We either have the same problem in ELC or this situation can be prevented by a proper tuning. Either way I think it's worth taking a look at some point.
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