mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-14 18:13:51 +01:00
31 lines
470 B
ReStructuredText
31 lines
470 B
ReStructuredText
|
.. _qp_stop:
|
||
|
|
|
||
|
|
=======
|
||
|
|
qp_stop
|
||
|
|
=======
|
||
|
|
|
||
|
|
.. program:: qp_stop
|
||
|
|
|
||
|
|
Requests for a clean termination of the program.
|
||
|
|
|
||
|
|
This will have the effect to exit the Davidson diagonalization, the
|
||
|
|
|SCF| procedure or the determinant selection to save the current wave
|
||
|
|
function and exit the program.
|
||
|
|
|
||
|
|
Usage
|
||
|
|
-----
|
||
|
|
|
||
|
|
.. code:: bash
|
||
|
|
|
||
|
|
qp_stop [-chq] EZFIO_DIR
|
||
|
|
|
||
|
|
.. option:: -c, --cancel
|
||
|
|
|
||
|
|
Cancel the qp_stop order.
|
||
|
|
|
||
|
|
.. option:: -q, --query
|
||
|
|
|
||
|
|
Ask if :file:`EZFIO_DIR` was requested to stop.
|
||
|
|
|
||
|
|
|