extract common parts in 'Read_PAO' and 'Read_Descriptor' to a new function#6
Merged
mohanchen merged 1 commit intodeepmodeling:masterfrom Apr 30, 2021
maki49:master
Merged
extract common parts in 'Read_PAO' and 'Read_Descriptor' to a new function#6mohanchen merged 1 commit intodeepmodeling:masterfrom maki49:master
mohanchen merged 1 commit intodeepmodeling:masterfrom
maki49:master
Conversation
Collaborator
|
Please run tests first to make sure the testing results are correct. |
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
This was referenced Oct 7, 2024
This file contains hidden or 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
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
2 participants
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
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