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.

Sign up for GitHub

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

Jump to bottom

Parser for memory usage in .castep files #2

Open

tfgg opened this issue Mar 4, 2014 · 1 comment

Owner

tfgg commented Mar 4, 2014

No description provided.

Owner Author

tfgg commented Mar 4, 2014

Usage

from castepy.output.memory import MemoryEstimateResult

m = MemoryEstimateResult.load(open("blah.castep").read()).next()

print m

How to handle different types of estimate? E.g. SCF vs. magres.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment