Workflow engine to use the VOTCA-XTP library

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  • License: Apache Software License (Apache-2.0)
  • Author: ['Felipe Zapata']
  • Tags chemistry, materials
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XTP_JOB_CONTROL

A python library to create, managed and executed worflows for the xtp votca package. See documentation

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  • License: Apache Software License (Apache-2.0)
  • Author: ['Felipe Zapata']
  • Tags chemistry, materials
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0.1.1

0.1.0

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