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

extract common parts in 'Read_PAO' and 'Read_Descriptor' to a new function #6

Merged
merged 1 commit into from
Apr 30, 2021

Conversation

maki49
Copy link
Collaborator

@maki49 maki49 commented Apr 26, 2021

add function "read_orb_file", called in both "Read_PAO" and "Read_Descriptor";
pass lmax and nchi (read directly from .orb file) to set_orbital_info;
add "Type" to "jle.orb" to unify the format

@mohanchen
Copy link
Collaborator

Please run tests first to make sure the testing results are correct.

@mohanchen mohanchen merged commit b794117 into deepmodeling:master Apr 30, 2021
mohanchen added a commit that referenced this pull request May 5, 2021
fixed bug of ewald term in STRESS (#16)
dyzheng pushed a commit that referenced this pull request Oct 18, 2022
add gemm to math_kernel & replace some functions in davidson
dyzheng added a commit to dyzheng/abacus-develop that referenced this pull request Aug 1, 2024
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.

2 participants