ExponentialMesh

class ase2sprkkr.sprkkr.radial_meshes.ExponentialMesh(r1, dx, jrmt, rmt, jrws, rws)[source]

Radial mesh definition for an atomic site.

Class hierarchy

Inheritance diagram of ase2sprkkr.sprkkr.radial_meshes.ExponentialMesh

Constructor

__init__(r1, dx, jrmt, rmt, jrws, rws)[source]
Parameters:
  • r1 (float) – First mesh item

  • dx (float) – Multiplier: r_n = r_{n-1} * dx

  • jrmt (int)

  • rmt (float)

  • jrws (int)

  • rws (float)

property r1
property dx
property jrmt
property rmt
property jrws
property rws
_clear()[source]
property coors
to_tuple()[source]
copy()[source]
set_fullpot(data)[source]
fullpot_tuple()[source]