qimpy.grid.Coulomb_Slab
- class Coulomb_Slab(grid, n_ions, iDir)
Bases:
object
Coulomb interactions between fields and point charges in a truncated Slab geometry
- Parameters:
grid (Grid) –
n_ions (int) –
iDir (int) –
- __init__(grid, n_ions, iDir)
Initialize truncated coulomb calculation
- Parameters:
grid (Grid) –
n_ions (int) –
iDir (int) –
- Return type:
None
Methods
Initialize truncated coulomb calculation
ewald
stress
update_lattice_dependent
Attributes
grid
ion_width
sigma
iDir
iR
iG