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@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
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3 participants