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aeqw's Issues

Move configuration options from start of input file.

Is your feature request related to a problem? Please describe.
Yes. Current interface doesn't allow for easy batch processing.

Describe the solution you'd like
The configuration options could be moved to a separate .conf file and the input file could be given as a command line argument.

SYNSPEC not generating an output for low abundance input

Many a times when the program is run with low values of abundances, SYNSPEC doesn't generate any output. This might lead to an incorrect estimation of the zero value. There are two strategies to make sure that an output is generated:

  1. Having a sufficiently large abundance.
  2. Having a sufficiently small value of the parameter RELOP in fort.55

We could begin with the program giving a warning whenever the output is not generated.

Optional machine-friendly output format

Is your feature request related to a problem? Please describe.
Currently aeqw outputs in a table-like format that is human-readable. However it creates extra parsing steps if the output is to be read by a subsequent program.

Describe the solution you'd like
An optional output format could be added which will output in a machine friendly format like a .csv file.

Update the Help Document

  • Update the help document to reflect the recent changes.
  • Also put the how to use section before other sections.

Prevent running multiple instances of aeqw at once.

Is your feature request related to a problem? Please describe.
If multiple instances of aeqw are launched simultaneously, that would mess up the directory structure for synspec. This should be avoided.

Describe the solution you'd like
A file lock can prevent running multiple instances.

Describe alternatives you've considered
Running aeqw in an isolated cache. Although this is less performant. This will allow running multiple aeqw instances together.

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