PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
Namespaces
pawpyseed.core Namespace Reference

Namespaces

 gaunt
 
 quad_check
 
 quadrature
 
 rayleigh
 
 test_radial
 
 utils
 Main utilities file for the Python portion of the code.
 
 wavefunction
 Base class containing Python classes for parsing files and storing and analyzing wavefunction data.