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Decide how to supply simulation parameters #3

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zmitchell opened this issue Mar 27, 2019 · 1 comment
Open

Decide how to supply simulation parameters #3

zmitchell opened this issue Mar 27, 2019 · 1 comment
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enhancement New feature or request

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@zmitchell
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Right now the parameters are supplied in each Excel file. I'm trying to move everything towards plain text as much as possible, so I'd like a different way to supply the parameters. The parameters that need to be supplied are as follows:

  • number of pigments in the simulation
  • exciton transition bandwidth
  • wavenumber start, stop, and step

One option is to supply all parameters in a TOML file, but that seems like a pain for just 5 parameters. Another option is command line arguments to the simulation script.

@zmitchell zmitchell added the enhancement New feature or request label Mar 27, 2019
@zmitchell
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Another element to this is having a record of the parameters used for a particular simulation. When you put the simulations in a file, you can store the inputs, outputs, and parameter file in a directory to save a reproducible simulation, and it's unambiguous which parameters were used to produce those outputs.

When you use command line arguments, there's no record of which parameters were used.

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