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BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFT
Description
Describe the bug
when i run the abacus in sunway, i find many Floating point exception.
1.
Error in the division by zero,the array atom->ncpp.r may have zero,thus the r2 may zero,it is a undefined behavior
2. the Non-standard number
If the value of cell.atoms[it].ncpp.betar is less than 1e-308, it is directly set to 0 on Intel, but on Sunway, for some reason, it appears as a non-normalized integer, which prevents any calculations from being performed.Actullay if a double value less than 1e-300,it can be set as zero to avoid the problem in other meachine.
3.
the array rho_basis->gg may have zero,thus there is an error in the division by zero ,it is a undefined behavior.
Expected behavior
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To Reproduce
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Environment
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Additional Context
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BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFT