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Interactive bash scripts #312

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ag8206 opened this issue Nov 20, 2024 · 0 comments
Open

Interactive bash scripts #312

ag8206 opened this issue Nov 20, 2024 · 0 comments

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@ag8206
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ag8206 commented Nov 20, 2024

Hello. I was wondering, is Turbomole necessary to use the interactive bash scripts such as gimic-run.sh? I tried to use gimic-run.sh with just a MOL, XDENS, and coord.xyz file and got the error "Please run the bond integral calculation from a directory containing the files MOL, XDENS, coord and coord.xyz". It seems the problem is I am missing the coord file but my understanding is that file can only be generated with Turbomole. Is this correct?
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