Within the project SIESTA-PRO, efforts are devoted to strengthening four main pillars:

  • Software structural quality
  • Software capabilities
  • Software usability
  • Software platform

Software Structural Quality

In the project we are taking the following actions to guarantee a good practice on the development of the SIESTA code:

  • SIESTA code development rules
  • Code testing at different level (Unit tests & Test farm)

Moreover, the SIESTA code already has:

  • Extensive code documentation
  • Control version system: Bazaar – Launchpad

Software Capabilities

There is an effort to extend the code capabilities in the following areas:

  • Material properties computed
  • Implemented solutions beyond DFT
  • Technical solutions enhancing the code efficiency
  • Link with other codes to expand SIESTA capacity

You can find more information about SIESTA functionalities here.

Software Usability

  • SIESTA automatization/installation tools: Docker, Binaries
  • Optimized pseudopotential and basis set database

Software Platform

Platform composed of functional and social tools around the SIESTA code. It will be a space where the scientific community will group and discuss publicly on all kinds of topics related to the SIESTA code.

SIMUNE has received funds to develop the project: “SIESTA-PRO – Spanish Initiative for Electronic Simulations with Thousands of Atoms: Open Source code with professional support and warranty”.

The project (RTC-2016-5681-7) has been funded by the Spanish Ministry of Economy, Industry and Competitiveness and has been co-financed by the European Structural and Investment Funds with the objective to promote technological development, innovation and quality research.