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AiiDA plugin package "aiida-plumed"

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General information

Current state: development Adds new functionality, not yet ready for production. Testing welcome!

Short description: AiiDA plugin providing support for Plumed2

How to install: pip install --pre aiida-plumed

Source code: Go to the source code repository

Documentation: Go to plugin documentation

Detailed information

Author(s): Conrad Johnston


How to use from python: import aiida_plumed

Most recent version: 0.1.0a0

Compatible with aiida-core: >=1.0.0b3,<2.0.0

Plugins provided by the package

Calculations 1 Parsers 1 Data 1 Other (Data commands) 1

Data node types (

  • plumed

CalcJobs and calculation functions (aiida.calculations)

  • plumed
    class aiida_plumed.calculations:DiffCalculation

CalcJob parsers (aiida.parsers)

  • plumed
    class aiida_plumed.parsers:DiffParser

verdi data commands (

  • plumed
    class aiida_plumed.cli:data_cli