Grid input documentation
========================

Create local or distributed grid for `lattice`.


Used to initialize class :class:`qimpy.grid.Grid`.

YAML template:
--------------

.. parsed-literal::

   :yamlparam:`qimpy.grid.Grid:ke-cutoff`: :yamlkey:`null`  :yamlcomment:`# Kinetic-energy cutoff for grid in Hartrees.`
   :yamlparam:`qimpy.grid.Grid:shape`: :yamlkey:`null`      :yamlcomment:`# Explicit grid dimensions [Nx, Ny, Nz].`

Parameters:
-----------

ke-cutoff
+++++++++

*Type:* :yamltype:`float` or :yamltype:`null`, *Default:*  :yamlkey:`null`

Kinetic-energy cutoff for grid in Hartrees.
If unspecified, this is taken to be its minimum value:
4x the wavefunction kinetic energy cutoff.
This has no effect if `shape` is specified explicitly.

shape
+++++

*Type:* :yamltype:`list` of :yamltype:`int`, or :yamltype:`null`, *Default:*  :yamlkey:`null`

Explicit grid dimensions [Nx, Ny, Nz].
Highest precedence, and if specified, will supercede `ke_cutoff`.