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SlaterDetBuilder I/O issues

Open ye-luo opened this issue 1 year ago • 1 comments

Not necessarily bugs but a few things need to be better handled in https://github.com/QMCPACK/qmcpack/blob/develop/src/QMCWaveFunctions/Fermion/SlaterDetBuilder.cpp

  • [ ] error output handling. app_abort should be avoided.
  • [ ] avoid repetitive I/O in readDetListH5. Better to read by one rank and then bcast.

ye-luo avatar May 29 '24 20:05 ye-luo

Fair points. Reading and bcasting probably most impactful. I would add (3) Repeated code and (4) Lack of input validation as well. It is very trusting of the input. However it does work for present day-to-day purposes.

prckent avatar May 29 '24 20:05 prckent