LCPQ/EMSL_Basis_Set_Exchange_Local
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TApplencourt 2014-11-12 18:28:38 +01:00
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EMSL_Basis_Set_Exchange_Local
=============================
Create of Local Copy of the famous [ EMSL Basis Set Exchange](https://bse.pnl.gov/bse/portal) and use it easyly with the API.
Create of Local Copy of the famous [ EMSL Basis Set Exchange](https://bse.pnl.gov/bse/portal) and use it easily with the API.
* Make a slight (40Mo Sqlite3 database) of the EMSL Basis Set Exchange website (One database for all the basisset of one format);
* Make a slight (40Mo Sqlite3 database) of the EMSL Basis Set Exchange website (One database for all the basis set of one format);
* API for scripting ;
* Quick local access without delay ;
* Only need [Python](https://www.python.org/) and [Request](http://docs.python-requests.org/en/latest/) module.
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* Request ```$ pip install requests```
##To do
For now we can only parse (witch: ```./src/EMSL_utility.py#EMSL_dump.basis_data_row_to_array```) Gaussian-US basis set type file.
For now we can only parse Gaussian-US basis set type file. (Look at ```./src/EMSL_utility.py#EMSL_dump.basis_data_row_to_array```)
Feel free to fork/pull request.