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Multiple issues with mixing coefficients #73

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tchipev opened this issue Apr 12, 2019 · 1 comment · Fixed by #333
Closed

Multiple issues with mixing coefficients #73

tchipev opened this issue Apr 12, 2019 · 1 comment · Fixed by #333

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@tchipev
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tchipev commented Apr 12, 2019

  • misleading warning "This can happen because the xml-input doesn't support these yet!"
  • neededCoeffs check should be multiplied by two "if(dmixcoeff.size() < neededCoeffs){" and this should probably be an ==
  • duplication between Domain::_mixcoeff and EnsembleBase::_mixingrules
  • special mixing rules with xi and eta are not symmetric, but Comp2Param::initialize is symmetric?
  • appending values at the end of _mixcoeff in Simulation.cpp:250 error prone
  • initialization is dependent on the order in which they appear in the file and the passed componentid-s have no effect ?
@tchipev tchipev changed the title clean up outdated warning about XML not supporting mixing rules Clean up of Mixing Rule coefficients needed Apr 12, 2019
@tchipev tchipev changed the title Clean up of Mixing Rule coefficients needed Multiple issues with mixing coefficients Apr 12, 2019
@tchipev
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tchipev commented Apr 12, 2019

all except duplication between Domain::_mixcoeff and EnsembleBase::_mixingrules should be fixed with Pull Request Nr #76

@HomesGH HomesGH linked a pull request Jul 26, 2024 that will close this issue
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@HomesGH HomesGH mentioned this issue Jul 26, 2024
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