NanoLanguage is a
scripting
Script may refer to:
Writing systems
* Script, a distinctive writing system, based on a repertoire of specific elements or symbols, or that repertoire
* Script (styles of handwriting)
** Script typeface, a typeface with characteristics of handw ...
interface built on top of the
interpreted programming language
In computer science, an interpreter is a computer program that directly executes instructions written in a programming or scripting language, without requiring them previously to have been compiled into a machine language program. An interprete ...
Python
Python may refer to:
Snakes
* Pythonidae, a family of nonvenomous snakes found in Africa, Asia, and Australia
** ''Python'' (genus), a genus of Pythonidae found in Africa and Asia
* Python (mythology), a mythical serpent
Computing
* Python (pro ...
, and is primarily intended for simulation of physical and chemical properties of
nanoscale systems.
Introduction
Over the years, several electronic-structure codes based on
density functional theory
Density-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body ...
have been developed by different groups of academic researchers;
VASP
Viação Aérea São Paulo S/A (São Paulo Airways), better known as VASP, was an airline with its head office in the VASP Building on the grounds of São Paulo–Congonhas Airport in São Paulo, Brazil. It had main bases at São Paulo's two m ...
,
Abinit ABINIT is an open-source suite of programs for materials science, distributed under the GNU General Public License. ABINIT implements density functional theory, using a plane wave basis set and pseudopotentials, to compute the electronic density a ...
,
SIESTA
A ''siesta'' (from Spanish, pronounced and meaning "nap") is a short nap taken in the early afternoon, often after the midday meal. Such a period of sleep is a common tradition in some countries, particularly those in warm-weather zones. The ...
, and
Gaussian
Carl Friedrich Gauss (1777–1855) is the eponym of all of the topics listed below.
There are over 100 topics all named after this German mathematician and scientist, all in the fields of mathematics, physics, and astronomy. The English eponymo ...
are just a few examples. The input to these programs is usually a simple text file written in a code-specific format with a set of code-specific keywords.
NanoLanguage was introduced by
Atomistix
Atomistix A/S was a software company developing tools for atomic scale modelling. It was headquartered in Copenhagen, Denmark, with a subsidiary for Asia Pacific in Singapore and for the Americas in California. In September 2008 Atomistix A/S wen ...
A/S as an interface to
Atomistix ToolKit Atomistix ToolKit (ATK) is a commercial software for atomic-scale modeling and simulation of nanosystems. The software was originally developed by Atomistix A/S, and was later acquired by QuantumWise following the Atomistix bankruptcy. QuantumWise w ...
(version 2.1) in order to provide a more flexible input format. A NanoLanguage script (or input file) is just a Python program and can be anything from a few lines to a script performing complex numerical simulations, communicating with other scripts and files, and communicating with other software (e.g. plotting programs).
NanoLanguage is not a