Fix: fix a bug caused by intel compiler#6703
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mohanchen merged 2 commits intodeepmodeling:developfrom Nov 13, 2025
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Strange, but I will merge first.
mohanchen
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Linked Issue
Fix #6698
What's changed?
02_NAO_Gamma/020_NO_GO_SCAN_Si2are incorrect. Testing revealed that this is due to an error in the computation ofgrad_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.