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ODE didn't converge in bvp poisson solver #215

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ccastilloo opened this issue Jan 5, 2024 · 0 comments
Open

ODE didn't converge in bvp poisson solver #215

ccastilloo opened this issue Jan 5, 2024 · 0 comments

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@ccastilloo
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I had been trying to use solve_poisson_bvp to compute electronic repulsion between fragments, but apparently, the ode solver didn't converge and printed me the following error:
Captura de pantalla de 2024-01-05 10-44-45

if I remove the origin it works but becomes extremely slow. I'm testing it using a water dimer and I attached the code with their respective files

ode_issue.zip

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