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

added workshop materials from DBJochym's fork #1

Merged
merged 120 commits into from
Sep 16, 2024
Merged

added workshop materials from DBJochym's fork #1

merged 120 commits into from
Sep 16, 2024

Conversation

jkshenton
Copy link
Contributor

No description provided.

DBJochym and others added 29 commits September 19, 2023 14:10
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
@jkshenton jkshenton merged commit 2392e44 into develop Sep 16, 2024
1 check passed
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

6 participants