cherry-pick #6392 to support GPU version of cal_force_cc under LCAO basis set #6583
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…ng#6392) * support GPU version of cal_force_cc with LCAO basis * fix a bug
…h, fixing the memory error bug that occurs during direct cherry-pick.
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The test for case 204_NO_KP_NC passes locally. |
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During direct cherry-picking, CUDA memory errors occurred. After repeated local testing, it was discovered that a series of force-related functions in the LTS branch needed updates. Referencing #6448 and #6427, the bugs were fixed.