mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-18 12:03:57 +01:00
16 lines
369 B
ReStructuredText
16 lines
369 B
ReStructuredText
|
=======
|
||
|
|
qmcpack
|
||
|
|
=======
|
||
|
|
|
||
|
|
Normalize the AO basis using GAMESS convention and save it inside the EZFIO.
|
||
|
|
Then the python script is called.
|
||
|
|
|
||
|
|
Needed Modules
|
||
|
|
==============
|
||
|
|
.. Do not edit this section It was auto-generated
|
||
|
|
.. by the `update_README.py` script.
|
||
|
|
Documentation
|
||
|
|
=============
|
||
|
|
.. Do not edit this section It was auto-generated
|
||
|
|
.. by the `update_README.py` script.
|