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Code development

Pekka Koskinen edited this page Dec 14, 2015 · 6 revisions

= Development =

Structure of the underlying code: (!OpenOffice.org file [source:trunk/hotbit/doc/hotbit.odg hotbit.odg])

Image(source:/trunk/hotbit/doc/hotbit.png)

Selected topics:(!OpenOffice.org file [source:trunk/hotbit/doc/flowchart.odg flowchart.odg])

Image(source:/trunk/hotbit/doc/flowchart.png)

Code : Image(source:/trunk/hotbit/doc/code_lines.png,30%)

= Development plans =

  1. Order-N implementation (using sparse matrices)
  2. Parallellization

== Past milestones in development ==

  • code for generalized periodicities branched at r152
  • Generalized periodicites merged at r208
  • transforming from Fortran into C-extensions (around r250)
  • proper electrostatics for periodic systems (around r260)

== Developers ==

  • Subversion commits work only with ''local accounts'' at the University of Jyväskylä.
    • Contact [http://users.jyu.fi/~pekkosk/ Pekka Koskinen] for a local account
    • enable ''direct access'' of your account; go to [http://salasana.jyu.fi/] --> Activate UNIX.
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