LCPQ/EMSL_Basis_Set_Exchange_Local
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Thomas Applencourt 2015-01-13 10:09:57 +01:00
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@ -7,17 +7,17 @@ Create of Local Copy of the famous [EMSL Basis Set Exchange](https://bse.pnl.gov
* Make a slight copy (40Mo Sqlite3 database) of the EMSL Basis Set Exchange website (One database for all the basis set of one format); * Make a slight copy (40Mo Sqlite3 database) of the EMSL Basis Set Exchange website (One database for all the basis set of one format);
* API for scripting; * API for scripting;
* Quick local access without delay; * Quick local access without delay;
* Only need [Python](https://www.python.org/) and [Request](http://docs.python-requests.org/en/latest/) module. * Only need [Python](https://www.python.org/)
##Dependency ##Dependency
* Python >2.6 * Python >2.6
###### Optional ###### Optional
If you plan to download manually some database -not using the pre existing one- you need : If you plan to download manually some database -not using the pre existing one- you need :
* Request ```pip install requests``` (in a virtual env or with sudo) * [Request](http://docs.python-requests.org/en/latest/) python module. ```$pip install requests``` (do it in a virtual env or with sudo)
##Installation ##Installation
* Download the git repertory (```$ git clone https://github.com/TApplencourt/EMSL_Basis_Set_Exchange_Local.git``` for example) * Download the git repertory (```$git clone https://github.com/TApplencourt/EMSL_Basis_Set_Exchange_Local.git``` for example)
* That all! You can now, use ```EMSL_api.py``` * That all! You can now, use ```EMSL_api.py```
##Usage ##Usage