You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Seems ROW may be a good choice if we can find a simpler, but accurate enough approx to the Jacobian, given that ROW only need jacobian approximations (in contrast to typical Rosenbracks which may be very sensitive to Jacobians)
Implement a Rosenbrock type method for chemistry integration.
Advantages: Single step, non iterative. "Looks like" RK schemes.
Disadvantages (/ really advantages) : Requires jacobian.
See
https://encyclopediaofmath.org/wiki/Rosenbrock_methods
http://www.hysafe.org/science/eAcademy/docs/ACMTransactionsOnMathematicalSoftware_v8_p93to113.pdf
https://www.sciencedirect.com/science/article/pii/S0377042715001569
https://www.epfl.ch/labs/anchp/wp-content/uploads/2018/05/part2-1.pdf
Then further implemented with the simpler operator splitting detailed in #32
Could be a massive speedup, and would be done in Kokkos spaces rather than on the python side.
The text was updated successfully, but these errors were encountered: