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Jump in electric field while testing against BEAST #22

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TimHRO opened this issue Jan 10, 2024 · 1 comment
Closed

Jump in electric field while testing against BEAST #22

TimHRO opened this issue Jan 10, 2024 · 1 comment

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@TimHRO
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TimHRO commented Jan 10, 2024

While following the application example from your documentation I observed a jump in the electric field.
If my points_cartNF is defined as

ϑ = range(0.0, stop=0.999999999999999π, length=18) # 10° steps
ϕ = range(0.0, stop=0.999999999999999
2π, length=36) # 10° steps
P = [point(cos(φ) * sin(θ), sin(φ) * sin(θ), cos(θ)) for θ in ϑ, φ in ϕ]
points_cartNF = P .* r

the test against BEAST results in 1.034% relative error.
With one additional 9 (moving towards π and 2π) I experienced a jump in the electric field at critical points.
The relative error increases over 100%.

@HoBeZwe
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HoBeZwe commented Feb 5, 2024

Hi,

It seems that I can not reproduce the issue you are encountering.

Could you provide the full example such that I can have a closer look?

@HoBeZwe HoBeZwe closed this as completed Sep 16, 2024
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