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Add converter function for PySCF's RCISD and CCSD/UCCSD to PennyLane statevector #4433

Merged
merged 69 commits into from
Aug 8, 2023
Merged

Add converter function for PySCF's RCISD and CCSD/UCCSD to PennyLane statevector #4433

merged 69 commits into from
Aug 8, 2023

Commits on Jul 31, 2023

  1. add excitation function

    @soranjh
    soranjh committed Jul 31, 2023
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  2. add excited states

    @soranjh
    soranjh committed Jul 31, 2023
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  3. modify var names

    @soranjh
    soranjh committed Jul 31, 2023
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  4. modify var names

    @soranjh
    soranjh committed Jul 31, 2023
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Commits on Aug 1, 2023

  1. add tests

    @soranjh
    soranjh committed Aug 1, 2023
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  2. make code compact

    @soranjh
    soranjh committed Aug 1, 2023
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  3. make code compact

    @soranjh
    soranjh committed Aug 1, 2023
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  4. add ucisd wavefunction constructor

    @Chiffafox
    Chiffafox committed Aug 1, 2023
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  5. added the converter from wf_dict format to pennylane statevector

    @Chiffafox
    Chiffafox committed Aug 1, 2023
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  6. update cisd_state docstring

    @Chiffafox
    Chiffafox committed Aug 1, 2023
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  7. update _ucisd_state docstring

    @Chiffafox
    Chiffafox committed Aug 1, 2023
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  8. update docstring of final converter to statevector

    @Chiffafox
    Chiffafox committed Aug 1, 2023
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  9. fixed the example output for cisd_state

    @Chiffafox
    Chiffafox committed Aug 1, 2023
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Commits on Aug 2, 2023

  1. added test for private _ucisd func based on h2 molecule

    @Chiffafox
    Chiffafox committed Aug 2, 2023
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  2. added cc-pvdz test

    @Chiffafox
    Chiffafox committed Aug 2, 2023
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  3. added how to generate ref data for test_prive_ucisd

    @Chiffafox
    Chiffafox committed Aug 2, 2023
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  4. [skip ci] fixed typos

    @Chiffafox
    Chiffafox committed Aug 2, 2023
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  5. modify test to account for sign change

    @soranjh
    soranjh committed Aug 2, 2023
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  6. remove comments and modify docstring

    @soranjh
    soranjh committed Aug 2, 2023
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  7. Merge branch 'master' into initial_state_ucisd

    @soranjh
    soranjh authored Aug 2, 2023
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  8. Add functions to return excited basis states (#4417)

    @soranjh
    soranjh authored Aug 2, 2023
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  9. correct test

    @soranjh
    soranjh committed Aug 2, 2023
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  10. correct import

    @soranjh
    soranjh committed Aug 2, 2023
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  11. add test for statevector

    @soranjh
    soranjh committed Aug 2, 2023
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  12. add test for cisd

    @soranjh
    soranjh committed Aug 2, 2023
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  13. added the wavefunction constructor for restricted cisd, matched ucisd… 

    … syntax
    @Chiffafox
    Chiffafox committed Aug 2, 2023
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  14. add error test and fix bug

    @soranjh
    soranjh committed Aug 2, 2023
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  15. minor comments for clarification added

    @Chiffafox
    Chiffafox committed Aug 2, 2023
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  16. add correct input args to test

    @soranjh
    soranjh committed Aug 2, 2023
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  17. Merge branch 'master' into initial_state_ucisd

    @soranjh
    soranjh committed Aug 2, 2023
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  18. fix typo

    @soranjh
    soranjh committed Aug 2, 2023
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  19. added tests for rcisd and improved ucisd tests

    @Chiffafox
    Chiffafox committed Aug 2, 2023
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  20. small fixes to _rcisd func

    @Chiffafox
    Chiffafox committed Aug 2, 2023
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  21. updating tests with symm argument

    @Chiffafox
    Chiffafox committed Aug 2, 2023
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  22. updated tests to use the symm arg

    @Chiffafox
    Chiffafox committed Aug 2, 2023
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  23. reformatted with black

    @Chiffafox
    Chiffafox committed Aug 2, 2023
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  24. fixed black formatting

    @Chiffafox
    Chiffafox committed Aug 2, 2023
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Commits on Aug 3, 2023

  1. added Be atom test for rcisd aa->aa and bb->bb check

    @Chiffafox
    Chiffafox committed Aug 3, 2023
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  2. black format fix

    @Chiffafox
    Chiffafox committed Aug 3, 2023
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  3. first version of uccsd converter

    @Chiffafox
    Chiffafox committed Aug 3, 2023
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  4. make code compact

    @soranjh
    soranjh committed Aug 3, 2023
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  5. rename cisd_state to import_state

    @soranjh
    soranjh committed Aug 3, 2023
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  6. polished uccsd converter and added test for it

    @Chiffafox
    Chiffafox committed Aug 3, 2023
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  7. added the rccsd converter

    @Chiffafox
    Chiffafox committed Aug 3, 2023
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  8. added tests for rccsd and ccsd_state

    @Chiffafox
    Chiffafox committed Aug 3, 2023
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  9. fix black formatting

    @Chiffafox
    Chiffafox committed Aug 3, 2023
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  10. modify docs

    @soranjh
    soranjh committed Aug 3, 2023
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  11. Merge branch 'master' into initial_state_ucisd

    @soranjh
    soranjh authored Aug 3, 2023
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  12. Merge branch 'master' into initial_state_rcisd

    @Chiffafox
    Chiffafox authored Aug 3, 2023
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  13. resolve conflicts

    @soranjh
    soranjh committed Aug 3, 2023
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  14. resolve conflicts in tests

    @soranjh
    soranjh committed Aug 3, 2023
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  15. merge functions

    @soranjh
    soranjh committed Aug 3, 2023
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  16. add small modifications

    @soranjh
    soranjh committed Aug 3, 2023
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Commits on Aug 4, 2023

  1. update with master

    @soranjh
    soranjh committed Aug 4, 2023
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  2. merge master and fix conflict

    @soranjh
    soranjh committed Aug 4, 2023
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  3. expand import state test

    @soranjh
    soranjh committed Aug 4, 2023
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  4. remove import pyscf

    @soranjh
    soranjh committed Aug 4, 2023
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  5. update docstring

    @soranjh
    soranjh committed Aug 4, 2023
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Commits on Aug 5, 2023

  1. update changelog

    @soranjh
    soranjh committed Aug 5, 2023
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Commits on Aug 7, 2023

  1. modify docstring

    @soranjh
    soranjh committed Aug 7, 2023
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  2. modify docstring

    @soranjh
    soranjh committed Aug 7, 2023
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  3. update changelog

    @soranjh
    soranjh committed Aug 7, 2023
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  4. modify docstring

    @soranjh
    soranjh committed Aug 7, 2023
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  5. update changelog

    @soranjh
    soranjh committed Aug 7, 2023
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  6. extend object support

    @soranjh
    soranjh committed Aug 7, 2023
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Commits on Aug 8, 2023

  1. added symmetry=d2h to examples in rcisd / ucisd converters

    @Chiffafox
    Chiffafox committed Aug 8, 2023
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  2. define test data

    @soranjh
    soranjh committed Aug 8, 2023
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  3. Merge branch 'master' into initial_state_rcisd

    @soranjh
    soranjh committed Aug 8, 2023
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  4. Merge branch 'initial_state_rcisd' of https://github.com/PennyLaneAI/… 

    …pennylane into initial_state_rcisd
    @soranjh
    soranjh committed Aug 8, 2023
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