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Bug in quickstart

This commit is contained in:
Anthony Scemama 2019-09-26 12:48:43 +02:00
parent 9f6cedde85
commit d91de1bc2b

View File

@ -115,7 +115,7 @@ create an |EZFIO| database with the 6-31G basis set:
.. code:: bash
qp create_ezfio -b "6-31G" hcn.xyz -o hcn
qp create_ezfio -b "6-31g" hcn.xyz -o hcn
The EZFIO database now contains data relative to the nuclear coordinates
and the atomic basis set: