jarvis.tasks.qe.master_super
============================

.. py:module:: jarvis.tasks.qe.master_super

.. autoapi-nested-parse::

   Run multiple jobs.



Attributes
----------

.. autoapisummary::

   jarvis.tasks.qe.master_super.my_data
   jarvis.tasks.qe.master_super.qe_cmd
   jarvis.tasks.qe.master_super.qe_cmd
   jarvis.tasks.qe.master_super.run_dir
   jarvis.tasks.qe.master_super.run_dir
   jarvis.tasks.qe.master_super.jids
   jarvis.tasks.qe.master_super.jids
   jarvis.tasks.qe.master_super.submit_job
   jarvis.tasks.qe.master_super.use_preconverged_kpoints
   jarvis.tasks.qe.master_super.dat


Functions
---------

.. autoapisummary::

   jarvis.tasks.qe.master_super.get_jid_data
   jarvis.tasks.qe.master_super.non_prime_kpoints
   jarvis.tasks.qe.master_super.write_qejob


Module Contents
---------------

.. py:data:: my_data

.. py:function:: get_jid_data(jid='JVASP-667', dataset='dft_2d')

   Get info for a jid and dataset.


.. py:data:: qe_cmd
   :value: 'mpirun -np 16 /home/kfg/codes/q-e-qe-6.5/bin/pw.x'


.. py:data:: qe_cmd
   :value: '/home/kfg/codes/q-e-qe-6.5/bin/pw.x'


.. py:data:: run_dir
   :value: '/wrk/knc6/Super'


.. py:data:: run_dir
   :value: '/wrk/knc6/CDVAE_SUP'


.. py:function:: non_prime_kpoints(kpts=[])

   Get non prime kpoints.


.. py:function:: write_qejob(pyname='job.py', job_json='')

   Write template job.py with VaspJob.to_dict() job.json.


.. py:data:: jids
   :value: ['JVASP-816', 'JVASP-19821']


.. py:data:: jids
   :value: ['POSCAR-AlN2Sc.vasp', 'POSCAR-CrV6Pt.vasp', 'POSCAR-NbNiV6.vasp', 'POSCAR-RuNb.vasp']


.. py:data:: submit_job
   :value: True


.. py:data:: use_preconverged_kpoints
   :value: False


.. py:data:: dat