Code

Feature/automated alchemy#42

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srmnitc merged 18 commits intomasterICAMS/calphy:masterfrom feature/automated_alchemyICAMS/calphy:feature/automated_alchemyCopy head branch name to clipboardAug 29, 2022

+2,393-163

Commits

Commits on Aug 25, 2022

• first draft of comp trf

  srmnitc

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  2030a3e

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• update compositional mapping

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  b83d74c

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• add tests for composition mapping

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  12474bc

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• update docs of alchemical transformation

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Commits on Aug 26, 2022

• add composition scaling

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  a9099aa

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• update alchemy mode

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  8b6f3a4

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• fix damping in alchemy

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  c66bd99

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Commits on Aug 29, 2022

• update input mode

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  23d0cdc

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• fix None in input

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  8c461d6

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• add skeleton transformation class

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• add averaging routine for comp scaling

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  56d6dc5

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• update integrators

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  318ed2a

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• bug fixes in comp trf

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  84a285c

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• add working routine and first draft of examples

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  b26a5e2

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• add composition scaling to run routines

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  428d290

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• add composition scaling to run routines

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  43193a7

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• bug fix in queuekernel

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  5c661a7

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• update examples

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