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aiida-siesta 1.4.0

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@bosonie bosonie released this 16 Jul 17:12

Version compatible with aiida-core>=1.3.0,<2.0.0.

Improvements

  • Introduce several workchains to help the optimization of basis sets.

For developers

  • Introduces dependences on aiida-optimize.
  • It is supposed to be the last release before moving the development to 2.0.x (that will be compatible
    with aiida-core>=2.0.0 only).

Known bugs

  • The Equation of State WorkChain crashes if the structure contains sites with same symbol but different name.