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BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTInput&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT details
Description
Describe the bug
When set out_chg as true, false, t, f, error occured:
ABACUS v3.8.3
Atomic-orbital Based Ab-initio Computation at UStc
Website: http://abacus.ustc.edu.cn/
Documentation: https://abacus.deepmodeling.com/
Repository: https://github.com/abacusmodeling/abacus-develop
https://github.com/deepmodeling/abacus-develop
Commit: 7a870790a (Mon Nov 18 16:38:04 2024 +0800)
Tue Nov 19 11:19:54 2024
terminate called after throwing an instance of 'std::invalid_argument'
what(): stoi
Aborted (core dumped)
But in our docs:
Note: Users cannot change the filename “INPUT” to other names. Boolean paramerters such as out_chg can be set by using True and False, 1 and 0, or T and F. It is case insensitive so that other preferences such as true and false, TRUE and FALSE, and t and f for setting boolean values are also supported.
Expected behavior
out_chg parameters can be set as boolean input (at the first input position)
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 DFTInput&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT details