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Initial FanPT Implementation #70

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Initial FanPT Implementation #70

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Commits on Aug 12, 2024

  1. Add fanpt files 

    FanPT files imported from FanCI
    @carlosevmoura
    carlosevmoura committed Aug 12, 2024
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  2. FanPT Wrapper added

    @carlosevmoura
    carlosevmoura committed Aug 12, 2024
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  3. Added masks support in FanCI class

    @carlosevmoura
    carlosevmoura committed Aug 12, 2024
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  4. Revert "Added masks support in FanCI class" 

    This reverts commit d6e7c4b.
    @carlosevmoura
    carlosevmoura committed Aug 12, 2024
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  5. Remova mask support in FanPT Wrapper

    @carlosevmoura
    carlosevmoura committed Aug 12, 2024
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  6. Mask support removed

    @carlosevmoura
    carlosevmoura committed Aug 12, 2024
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  7. Solved conflicts with nactive parameter in FanPT container 

    Added Control of Energy as Active Parameter

Small corrections

active_energy argument full removed

Revert "active_energy argument full removed"

This reverts commit 1bc07c2.

Revert "Small corrections"

This reverts commit 712b527.

Revert "Added Control of Energy as Active Parameter"

This reverts commit 9623fd4.

Revert "Solved conflicts with nactive parameter in FanPT container"

This reverts commit 3ab67bd.

Removing nactive parameter

Corrected number of columns

Small bug solved

Mask removed in fanpt_updater

Updating update_fanci_wfn

Updating update_fanci_wfn to PyCI

Corrected update_fanci_wfn

More updates in update_fanci_wfn

Solving class conflicts

Solving bug

Corrections to active_energy support

Bug solved on gen_coeff_matrix
    @carlosevmoura
    carlosevmoura committed Aug 12, 2024
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  8. Added tests for FanPT

    @carlosevmoura
    carlosevmoura committed Aug 12, 2024
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  9. Support to any number of nproj 

    Added flags to support the use of a different number of projections than the full space.
    @carlosevmoura
    carlosevmoura committed Aug 12, 2024
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  10. Removed optimized guess 

    FanPT guess must be provide by the user
    @carlosevmoura
    carlosevmoura committed Aug 12, 2024
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  11. Improved tests

    @carlosevmoura
    carlosevmoura committed Aug 12, 2024
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