ASE Manual Release 3.6.1.2825 CAMd - CampOS Wiki

CHAPTER
NINE
GLOSSARY
API Application Programming Interface. Automatically generated documentation from docstrings in the source
code using Epydoc. See here.
ASE Atomic Simulation Environment.
Class XXX
Constructor XXX
Docstring XXX
DFT Density Functional Theory.
EMT Effective Medium Theory.
HF Hartree-Fock approximation XXX ...
Instance XXX
LAPW In the linearized augmented plane wave (LAPW) method the unit cell of the crystal is divided into two
different types of regions. The first one, called the muffin-tin region, consists of spheres centered around
the atoms, while the second one, called the interstitial region consists of the remaining part of the unit cell.
In the muffin-tin spheres the basis consists of atomic like functions to account for the rapid changes of the
wave function in this area, whereas in the interstitial region the basis functions are plane waves, since the
wave function changes only slowly at some distance from the atomic sites.
Namespace An abstract container of the current scope‘s variables.
ndarray NumPy‘s n-dimensional array. See Numeric arrays in Python.
NumPy XXX See Numeric arrays in Python.
Method XXX
Python XXX What is Python?.
Scope An enclosing context where values and expressions are associated.
181