I've tried to be pedantic about calling all the values on the ProgramOutput object "output" and the parsed value "results;" however, this collides with basic naming conventions like this, where the returned value of a computation is almost always called "results":
results = compute("psi4", prog_inp)Using the word data in place of results fixes this and makes the semantics nice:
results = compute("psi4, prog_inp)
results.data.energy
results.data.gradient
results.stdoutThis nicely prserves the semantics "The results have data, standard out, provenance, etc..." and I now have a word for all the parsed values, data, that is clear, scientific, and easy to references.
See conversation: https://chatgpt.com/g/g-p-685372e8f69481919b9e72ae6a9f979e-chemcloud-client/c/68cc4df5-5200-8320-8a99-efe9bf5768a1
I've tried to be pedantic about calling all the values on the
ProgramOutputobject "output" and the parsed value "results;" however, this collides with basic naming conventions like this, where the returned value of a computation is almost always called "results":Using the word
datain place ofresultsfixes this and makes the semantics nice:This nicely prserves the semantics "The results have data, standard out, provenance, etc..." and I now have a word for all the parsed values,
data, that is clear, scientific, and easy to references.See conversation: https://chatgpt.com/g/g-p-685372e8f69481919b9e72ae6a9f979e-chemcloud-client/c/68cc4df5-5200-8320-8a99-efe9bf5768a1