qimpy.grid

Grids, fields and their operations

Module Attributes

N_SIGMAS_PER_WIDTH

Gaussian negligible after this many standard deviations.

Classes

Grid	Real and reciprocal space grids for a unit cell.
Field	Abstract base class for scalar/vector fields in real/reciprocal space.
FieldR	Real fields in real space.
FieldC	Complex fields in real space.
FieldH	Real fields in (half) reciprocal space.
FieldG	Complex fields in (full) reciprocal space.
FieldSymmetrizer	Space group symmetrization of reciprocal-space FieldH's.
Coulomb	Coulomb interactions between fields and point charges.
Coulomb_Slab	Coulomb interactions between fields and point charges in a truncated Slab geometry