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Merge branch 'master' of github.com:TApplencourt/EMSL_Basis_Set_Exchange_Local
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README.md
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README.md
@ -8,6 +8,16 @@ Create of Local Copy of the famous [EMSL Basis Set Exchange](https://bse.pnl.gov
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* Quick local access without delay ;
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* Only need [Python](https://www.python.org/) and [Request](http://docs.python-requests.org/en/latest/) module.
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##Dependancy
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* Python >2.6
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* Request ```pip install requests```
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##Installation
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* Download the git (```$ git clone https://github.com/TApplencourt/EMSL_Basis_Set_Exchange_Local.git``` for example)
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* ```cd``` into & run ```$ ./setup.py```
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* ```source EMSL_api.rc```
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* Done ! You can now, use ```EMSL_api.py``` or use all the python fonction inside ```./src```
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##Usage
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```
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EMSL Api.
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@ -28,9 +38,6 @@ Options:
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<db_path> is the path to the SQLite3 file containing the Basis sets.
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```
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##Dependancy
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* Python >2.6
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* Request ```$ pip install requests```
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##To do
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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```)
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