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mmorale3 / qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.
http://www.qmcpack.org
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Improve error messages. #11

Closed mmorale3 closed 4 years ago

mmorale3 commented 4 years ago

Error messages for common mistakes are too cryptic. They are not useful for general users.

fdmalone commented 4 years ago

Is the easiest thing to do to add a flag to the hdf5 to tell qmcpack the type of the integrals?