-
Notifications
You must be signed in to change notification settings - Fork 4
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
added workshop materials from DBJochym's fork #1
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Workshop
adapted to MD
Workshop
Workshop
Workshop
Workshop
further editing
more formatting
test reordering
Add note on constrained geom opt working better with tpsd than lbfgs.
update file name for benzene molecule
Add benzene molecule for the workshop phonon tutorial
Fixed typo and remove reference to castepsub
Add reference to local copiesof input files!
add local link to the tutorial files
Correct a grammo
change optados to optados.mpi
make param file actually for core loss
add species_pot block for B
Typo stuff
Add link to GA tutorial (hopefully)
Update a few typos
Minor formatting tweak
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
No description provided.