Skip to content

change INPUT exx_ for linear combination of coulomb_param #6316

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

Merged
merged 5 commits into from
Jun 21, 2025

Conversation

linpeize
Copy link

@linpeize linpeize commented Jun 19, 2025

change the exx parameter in INPUT for linear combinchange
$ \sum_i a_i 1/r + \sum_j a_j erfc(w_j r)/r $

This PR revert commit a145293, which will be added back soon.

@linpeize linpeize force-pushed the ccp_param_INPUT_2 branch 4 times, most recently from 77e9b26 to 362908d Compare June 19, 2025 23:10
@linpeize linpeize force-pushed the ccp_param_INPUT_2 branch from 362908d to 7980251 Compare June 19, 2025 23:54
@mohanchen mohanchen added Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS EXX and lr-TDDFT Related to EXX or lr-TDDFT Refactor Refactor ABACUS codes labels Jun 21, 2025
@mohanchen mohanchen merged commit 867adf7 into deepmodeling:develop Jun 21, 2025
14 checks passed
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS EXX and lr-TDDFT Related to EXX or lr-TDDFT Refactor Refactor ABACUS codes
Projects
None yet
Development

Successfully merging this pull request may close these issues.

3 participants