Developers

From OctopusWiki

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Whatever language you write in, your task as a programmer is to do the best you can with the tools at hand. A good programmer can overcome a poor language or a clumsy operating system, but even a great programming environment will not rescue a bad programmer. —Kernighan and Pike

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This section is for the developers of Octopus:

Contents 1 General 2 Coding manual 3 Current Projects 4 Optimization, Benchmarks and Profiling 5 External Tools 6 Modules 7 Pseudopotentials 8 Periodic systems 9 Meeting Minutes 10 Votes

General

• Who are we
• List of input variables
• A TODO list
• Removed Features
• Octopus logo
• Developers:Big changes: notes for the page Manual:Updating to a new version after a release

Coding manual

• Starting to develop
• Code style
• Preprocessing
• Geometry
• Grids
• Wave-functions
• Writing Documentation
• Regression testing
• Emacs helpers
• Operations by blocks
• Doxygen documentation
• Input variables
• Slides of a tutorial for Octopus developers

Current Projects

• Graphical user interface

Optimization, Benchmarks and Profiling

• profiling of the parallelization in domains
• A Poisson_benchmark
• Timing results for the Octopus testsuite
• Speed-up of nonblocking collectives for
• OpenMP Parallelization
• References about cache optimization
• Restart-files benchmark

External Tools

You can use the following tools to view/analyze octopus

• Octopus Analyzer Tool (you'll need a gecko-based browser like mozilla or firefox)
• trac code browser
• How to use SVN
• BuildBot

By the way, you may want to see how the code is evolving with time:

http://www.tddft.org/programs/octopus/img/oct_lines.gif

Modules

• Exchange and Correlation
  • xc module: Higher level module that handles the xc functionals.
  • xc_functl module: Lower level module used by xc module.
  • libxc: Library that holds the parametrizations of the LDA, GGA, etc. functionals.
• Linear Response
• Developers:Parallelization
• LOBPCG
• Open Boundaries/Transport
• Forces
• BerkeleyGW

Pseudopotentials

Detailed description of several pseudopotential formats.

• ABINIT description of the pseudopotential file format used by the ABINIT code.

• fhi98PP description of the pseudopotential file format used by the Fritz-Haber Institut norm-conserving pseudopotential generator.

• FHI98md description of the pseudopotential file format used by the Fritz-Haber Institut FHI98md code.

• PWscf description of the pseudopotential file format used by the PWscf code.

• Double Grid

• Separation of the pseudopotential

Periodic systems

• Ion-Ion interaction
• Dielectric function

Meeting Minutes

• Meeting minutes from IRC sessions or local meetings

Votes

• Votes