Enable two ScaFaCoS instances #4036
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system.actors.clear() doesn't clear the DLC actor on the first pass. In that situation, if the DLC check fails, it exits early before the calls to `del system.actors[0]` and triggers the tearDown() method, which cannot remove DLC. The system is then in an undetermined state for the ScaFaCoS check, which throws an exception.
There are now two static globals: one for ScaFaCoS Coulomb and one for ScaFaCoS dipoles. We can now in principle run a magnetostatics method and an electrostatics method simultaneously.
Simplify the ScaFaCoS interface by hiding implementation details behind a pointer to a class that doesn't depend on Scafacos.hpp.
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@reinaual The relevant part of the PR is 6b2f51c...jngrad:scafacos-split |
UBSAN report: "reference binding to null pointer of type 'double'". When the system has no particles, the ScaFaCoS input vectors are empty and cannot be dereferenced.
KaiSzuttor
previously approved these changes
Dec 14, 2020
reinaual
approved these changes
Dec 14, 2020
RudolfWeeber
approved these changes
Dec 16, 2020
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Fixes #2636
Description of changes:
ScafacosContextstructScafacosContextBase*(type erasure)dipolar_mdlc_p3m_scafacos_p2nfft.pytestcaseScafacosactor that prevented returning some parameters from the core