Feature: add cg method for lcao basis#3473
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cg-lcao method currently only supports serial version
dyzheng
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Jan 18, 2024
| { | ||
| this->pdiagh->diag(hm, psi, eigenvalue); | ||
| } | ||
| else |
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Not good to me, This code block should not place in functions in HSolverLCAO class!
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Linked Issue
Fix #3152
What's changed?
Any changes of core modules? (ignore if not applicable)
hsolver-lcao.cpp.