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Fix PWscf module with new methods #197

Merged
merged 16 commits into from
Mar 5, 2023
Merged

Fix PWscf module with new methods #197

merged 16 commits into from
Mar 5, 2023

Commits on Mar 5, 2023

  1. Change definition of AtomicPosition with MVector

    @singularitti
    singularitti committed Mar 5, 2023
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  2. Fix definition of AtomicSpecies

    @singularitti
    singularitti committed Mar 5, 2023
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  3. Fix AtomicPositionsCard from Cell

    @singularitti
    singularitti committed Mar 5, 2023
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  4. Redefine CellParametersCard

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    singularitti committed Mar 5, 2023
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  5. Redefine AtomicForce

    @singularitti
    singularitti committed Mar 5, 2023
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  6. Simplify optconvert

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    singularitti committed Mar 5, 2023
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  7. Remove 1 method for SpecialPointsCard

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    singularitti committed Mar 5, 2023
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  8. Rename optionof to getoption

    @singularitti
    singularitti committed Mar 5, 2023
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  9. Add more methods to getoption

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    singularitti committed Mar 5, 2023
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  10. Update docs

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    singularitti committed Mar 5, 2023
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  11. Add 1 method to optionpool

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    singularitti committed Mar 5, 2023
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  12. Fix imports of StaticArrays

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    singularitti committed Mar 5, 2023
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  13. Change the signature of optconvert

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    singularitti committed Mar 5, 2023
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  14. Rename optconvert to convertoption

    @singularitti
    singularitti committed Mar 5, 2023
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  15. Update PWInput

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    singularitti committed Mar 5, 2023
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  16. Move exitfile & mkexitfile to src/Inputs/PWscf/namelists.jl

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    singularitti committed Mar 5, 2023
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