Glossary

API

Application programming interface

ASE

Atomic Simulation Environment. See the ASE homepage.

BLAS

Basic linear-algebra subprograms. See the Wikipedia entry.

C

The C programming language.

CC BY 4.0

Creative Commons Attribution 4.0 License. This documentation for all parts of the ViPErLEED project is licensed under the CC BY 4.0 license. The license allows free sharing and adaptation of the source material, but requires attribution to the original authors (e.g. via citation in a scientific publication). For more details see here.

CLI

Command-line interface

conda

The conda package manager for Python. See the conda homepage.

CSV

Comma-separated value format. See the Wikipedia entry.

DFT

Density functional theory

Environment variable

A variable that is set in the environment of a process. It is used to pass information to a process. ViPErLEED uses the environment variable VIPERLEED_TENSORLEED to locate the TensErLEED source code if the path is not given explicitly. See also here.

fcc

Face-centered-cubic crystal structure.

Fortran

The Fortran programming language. One of the first high-level programming languages. It is still heavily used in legacy HPC applications. TensErLEED is written in Fortran 77 and Fortran 90. See the Wikipedia entry.

gcc

GNU compiler collection. See the GCC homepage.

gfortran

The GNU Fortran compiler.

GPLv3

The GNU General Public License version 3. License text.

GUI

Graphical user interface

HPC

High-performance computing

ifort

Intel Fortran compiler.

ImageJ

ImageJ is a public domain image processing and analysis software commonly used in the scientific community. The ViPErLEED spot-tracker, curve editor and several associated utilities are implemented as ImageJ plugins. See also the ImageJ homepage.

Jupyter

The Jupyter project for interactive computing. Jupyter notebooks are commonly used as interactive Python environments. See also the project Jupyter homepage.

LAPACK

Linear-algebra package. See the Wikipedia entry.

LEED

Low energy electron diffraction

LEED-I(V)

Energy-dependent low-energy electron diffraction.

MPI

Message-passing interface. See the Wikipedia entry.

mpifort

The MPI wrapper for gfortran. See the homepage.

mpiifort

The MPI wrapper for ifort.

TensErLEED

Erlangen package for tensor LEED. See also the paper by Blum and Heinz [6].

VASP

Vienna ab initio simulation package. See the VASP wiki.

VESTA

3D Visualization software for structural models [12]. See also the VESTA homepage.

PyPI

The Python Package Index. See the PyPI homepage.

Python

The Python programming language. See the Python homepage.

UHV

Ultra-high vacuum

ViPErLEED

The Vienna Package for Erlangen LEED

viperleed.calc

The Python package of ViPErLEED that deals with calculations of LEED-I(V) curves.

WSL

Windows Subsystem for Linux. See also the page by Microsoft.

XRD

X-ray diffraction.