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README

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Anthony Scemama 2020-11-24 19:21:06 +01:00
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README.md
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@ -47,16 +47,3 @@ method with respect to various variables such as the molecule size or
its family, the nature of the excited states, the size of the basis
set, etc.
### The tools
[tools](tools/) a series of python scripts used to generate data:
- `datafileBuilder`: A python script to generate data from custom LaTeX input
file. See [examples](docs/examples).
- `metarecover`: A python script is used to regenerate the metadata from the
previous git history state. So you can remove a data file to regenerate it
from a LaTeX input file with `datafileBuilder` and recover the metadata
from the previous version using `metarecover`.
- `ADC25generator`: script used to build `ADC(2.5)` data files from `ADC(2)` and `ADC(3)` data files.
- `generate_data`: script used to wrap all data file into one `database.json` file.

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This directory contains a series of Python scripts used to generate data:
- `datafileBuilder`: A python script to generate data from custom LaTeX input
file. See [examples](docs/examples).
- `metarecover`: A python script is used to regenerate the metadata from the
previous git history state. So you can remove a data file to regenerate it
from a LaTeX input file with `datafileBuilder` and recover the metadata
from the previous version using `metarecover`.
- `ADC25generator`: script used to build `ADC(2.5)` data files from `ADC(2)` and `ADC(3)` data files.
- `generate_data`: script used to wrap all data file into one `database.json` file.