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Fix #6698

What's changed?

  • When using the Intel compiler, the force calculation results for the test case 02_NAO_Gamma/020_NO_GO_SCAN_Si2 are incorrect. Testing revealed that this is due to an error in the computation of grad_rl_sph_harm. Moreover, the way to fix it is quite unusual, leading me to suspect that this issue stems from a bug within the Intel compiler itself. Anyway, this PR resolves the problem.

@mohanchen mohanchen added Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes labels Nov 12, 2025
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Strange, but I will merge first.

@mohanchen mohanchen merged commit 7baaab1 into deepmodeling:develop Nov 13, 2025
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Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes

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[Tests]02_NAO_Gamma/020_NO_GO_SCAN_Si2 is failing with abacus compiled by Intel since v3.9.0.9

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