See also ?

**EducationPhysics**.Look also for debtag field::physics.

## Nanoscale physics tools

### Condensed Matter

#### Density Functional Theory (DFT) calculations

abinit Feature-full package for electronic structure calculations.

etsf-io I/O library for the platform-independent exchange of electronic structure data.

libxc Comprehensive library of exchange-correlation functionals.

openmx Package for nano-scale material simulations.

See also DebianScience/Chemistry.

http://en.wikipedia.org/wiki/List_of_quantum_chemistry_and_solid_state_physics_software has a list of software - both free and commercial.

#### Structure Visualisation

gdis A GTK based program for the display and manipulation of isolated molecules and periodic systems.

v-sim V_Sim visualizes atomic structures such as crystals, grain boundaries and so on

See also DebianScience/Chemistry and OpenScience > Chemistry > Molecule Viewers and Editors

#### Scanning probe microscopy

gwyddion Scanning Probe Microscopy visualization and analysis

#### XAS/ XAFS / EXAFS

horae (contrib) interactive graphical processing and analysis of EXAFS data.

ifeffit (contrib) An interactive program for XAFS analysis

sixpack (contrib) full-featured package for XAS analysis

#### X-ray diffraction

objcryst-fox A program for the ab initio structure determination from powder diffraction.

#### X-ray Fluorescence

pymca Python toolkit and application for X-ray fluorescence analysis.

### Supporting Packages

#### Peak Fitting

fityk Fityk is a flexible and portable program for nonlinear fitting of analytical functions (especially peak-shaped) to data (usually experimental data). In other words, for nonlinear peak separation and analysis.

#### Numerical Computation (MATLAB/IDL like)

http://blends.alioth.debian.org/science/tasks/numericalcomputation lists Matlab/IDL like packages for calculations on arrays, data analysis and visualisation.

#### Computer Algebra Systems

See DebianScience/ComputerAlgebraSystems for a comparison of some of these.

maxima Maxima is a fully symbolic computation program.

python-sympy ?SymPy is a Python library for symbolic mathematics (manipulation).

yacas Yacas is a small and highly flexible computer algebra language.The syntax is very close to Mathematica. The distribution contains a small library of mathematical functions, but its real strength is in the language in which you can easily write your own symbolic manipulation algorithms. It supports arbitrary precision arithmetic.

#### Image Analysis

See http://blends.alioth.debian.org/science/tasks/imageanalysis.html for applications to extract quantitative data from images.

## Tools with unofficial .deb

### Structure Determination

cmpr

*peak fitting and x-ray diffraction data viewer*already packaged by Carlo Segreexpgui

*GUI for GSAS (OK for Debian but GSAS isn't)*already packaged by Carlo Segremcmaille

*x-ray structure solution*already packaged by Carlo Segretpf

*x-ray profile refinement*already packaged by Carlo Segrexgen

*macromolecular crystallography*already packaged by Carlo SegreGxsm

*Gnome X scanning microscopy*package, tool for data acquisition of STM/SPM/AFM and visualization, available from http://gxsm.sf.net.