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Revise incar.py with two new classes *Param* and *Params*, still comp… #14

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Revise incar.py with two new classes *Param* and *Params*, still comp… #14

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Commits on Oct 21, 2019

  1. Revise incar.py with two new classes *Param* and *Params*, still comp… 

    …atible with previous usage, and make INCAR writing simple and extendable with VASP INCAR Parameters DataBase (vasp_para_db.py).
    Thomas Young Cluster RITS Do NOT reset password committed Oct 21, 2019
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Commits on Oct 22, 2019

  1. Make *InCar* obeject default value as INCAR, compatable with previous… 

    … usage
    @hsulab
    hsulab committed Oct 22, 2019
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Commits on Oct 23, 2019

  1. add electronic mixing algo para in vasp_para_db.py

    @hsulab
    hsulab committed Oct 23, 2019
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  2. fix a bug which happens when no src is used when creating *InCar* object

    @hsulab
    hsulab committed Oct 23, 2019
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Commits on Jul 29, 2020

  1. update few parameters used in INCAR

    @hsulab
    hsulab committed Jul 29, 2020
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