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Published 20 hours ago • verified publisher icon MolSSI

Expanded `data` options for `run` and `run-procedure` CLI

Open mattwelborn opened this issue 5 years ago • 0 comments

CLI should allow data input in all serialization formats supported by QCElemental, namely:

  • JSON
  • MsgPack

run and run-procedure CLI commands should have the additional optional arguments:

  • --input-encoding (default: None). None would try everything; this would need to be implemented in qcelemental.basemodels.ProtoModel.parse_raw.
  • --output-encoding (default: JSON).

mattwelborn avatar Aug 15 '19 14:08 mattwelborn