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Improve CP2K parser error #209

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felipeZ opened this issue Aug 14, 2020 · 1 comment

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felipeZ commented Aug 14, 2020

If there is an error reading the molecular orbitals from CP2K, qmflows raise very cryptic error, see for instance nanoqmflows#270

felipeZ added a commit that referenced this issue


          improve cp2k error report for orbitals parsing #209

7c9c999

felipeZ mentioned this issue

improve cp2k error report #210

Merged

felipeZ added a commit that referenced this issue


          format cp2kparser notes #209

297d0df

felipeZ added a commit that referenced this issue


          add logger and remove vectorize #209

d7fff5e

felipeZ added a commit that referenced this issue


          improve syntax in cp2k parser #209

2349b07

Contributor Author

felipeZ commented Aug 14, 2020

solve by #210

felipeZ closed this as completed

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