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What steps will reproduce the problem?
1. Run a simulation with the attached file (TLBR, split over two nfsim runs).
2. You will notice that the observable entries for the last point in the first
half don't match exactly the observable entries at the start of the second
half. One fewer R site is free and one more R site is bound. This corresponds
to creation of half a bond!
Not sure where the problem is, but somehow the configuration isn't being
restored perfectly.
Original issue reported on code.google.com by [email protected] on 24 Jul 2012 at 2:52
The text was updated successfully, but these errors were encountered:
Other issues with trajectory continuation in NFsim:
1) NFsim doesn't recognize t_start. Currently, simulate_nf() calculates
t_end-t_start and passes this to NFsim, so simulations run from 0 to
(t_end-t_start).
2) NFsim doesn't recognize 'continue' argument. Thus, GDAT files are
overwritten in continuation simulations unless 'suffix' argument is used to
modify the name of the output file.
Original issue reported on code.google.com by
[email protected]
on 24 Jul 2012 at 2:52The text was updated successfully, but these errors were encountered: