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The model used a time step of 1 min, and an output interval of 10 min.
We used a time step of 0.25 fs as larger steps caused the system to be unstable.
In the computations, we have used a time step of 0.005 a.u. The DMC error bars are about 0.1 eV.
We used a time step of 10 µs, and further reducing the time step did not generate differences, indicating that temporal accuracy was obtained.
We used a time step of 2 fs and a nonbond-interaction cut-off radius of 10 A°.
We used a time step of 2 fs and a nonbond-interaction cutoff radius of 10 A°.
Similar(53)
The new method permits to obtain the same accuracy as the splitting in time but by using a time step that is 10 times larger.
This allows each population of particles to be brought into convergence separately using a time step size optimized for its particular motion.
In this case small grid cells arise only near the boundary, and it is desirable to use a time step appropriate for the regular interior cells.
Further modifications to the system include the ability to use coolant-centered rather than fuel-centered channels, and the ability for TORT-TD to use a time step size that differs from that of CTF.
The solute transport simulations were carried out using a time step that varied between 1 and 600 s.
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