-
Notifications
You must be signed in to change notification settings - Fork 0
This is a clone of an SVN repository at svn://suncatls1.slac.stanford.edu/beef/trunk. It had been cloned by http://svn2github.com/ , but the service was since closed. Please read a closing note on my blog post: http://piotr.gabryjeluk.pl/blog:closing-svn2github . If you want to continue synchronizing this repo, look at https://github.com/gabrys/…
License
svn2github/beef
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
libbeef is a package providing the class of BEEF-vdW functionals and Bayesian error estimates to Fortran- or C-based DFT codes. ------ Basic installation instructions: ./configure CC=icc --prefix=yourbeefpath make make install To link it to the DFT code, add the following to the linker flags: -Lyourbeefpath/lib -lbeef ------ Error estimates can be calculated using the atomic simulation environment (https://wiki.fysik.dtu.dk) or with the bee utility included in this distribution: yourbeefbin/bin/bee 1 H2/output.log -2 H/out.log will e.g. calculate the Bayesian error estimate on the formation of H2 from 2H.
About
This is a clone of an SVN repository at svn://suncatls1.slac.stanford.edu/beef/trunk. It had been cloned by http://svn2github.com/ , but the service was since closed. Please read a closing note on my blog post: http://piotr.gabryjeluk.pl/blog:closing-svn2github . If you want to continue synchronizing this repo, look at https://github.com/gabrys/…
Resources
License
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published