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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 its family, the nature of the excited states, the size of the basis
set, etc. 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.