Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Trajectory continuation with NFsim #3

Open
GoogleCodeExporter opened this issue Mar 19, 2015 · 2 comments
Open

Trajectory continuation with NFsim #3

GoogleCodeExporter opened this issue Mar 19, 2015 · 2 comments

Comments

@GoogleCodeExporter
Copy link

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

@GoogleCodeExporter
Copy link
Author

Original comment by [email protected] on 24 Jul 2012 at 2:53

Attachments:

@GoogleCodeExporter
Copy link
Author

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 comment by [email protected] on 28 May 2013 at 10:42

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
Development

No branches or pull requests

1 participant