Feature/nics #41
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Feature/nics #41
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thanks Carlo. I changed the code a bit: now it parses all the NMR tensors of each atom, not just the ghost atoms. Should make the plugin more general, and there is no reason not to do it. But the parser interface changed a bit now. I also added an example. Take a look, if this works. If yes, let's merge. |
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Thanks a lot @eimrek I will check everything as soon as possible |
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Modified parser and plugin to allow for nics calculations