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Error while running cal_J for charge transfer calculation ('std::invalid_argument') #64

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mridula382 opened this issue Nov 6, 2023 · 0 comments
Open

Error while running cal_J for charge transfer calculation ('std::invalid_argument') #64

mridula382 opened this issue Nov 6, 2023 · 0 comments

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@mridula382
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Dear Dr. Brown,
I am using cal_J VERSION 1.9 for charge transfer calculation in a symmetric dimer. But the run is terminated with the following error message.
terminate called after throwing an instance of 'std::invalid_argument'
what(): stod
I am eagerly waiting for your response. Please help in resolving this issue.
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@mridula382