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Add more D3(BJ) parametrizations #103

Merged
merged 25 commits into from
Sep 28, 2024
Merged

Add more D3(BJ) parametrizations #103

merged 25 commits into from
Sep 28, 2024

Commits on Sep 24, 2024

  1. Add DSD-PBEP86-D3BJ from 10.1039/c1cp22592h

    @foxtran
    foxtran committed Sep 24, 2024
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  2. Add dRPA75-D3(BJ) and SCS-dRPA75-D3(BJ) from MRCC source code

    @foxtran
    foxtran committed Sep 24, 2024
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  3. Add DSD-S**-D3(BJ) from 10.1002/jcc.23391

    @foxtran
    foxtran committed Sep 24, 2024
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  4. Add DSD-B**-D3(BJ) from 10.1002/jcc.23391

    @foxtran
    foxtran committed Sep 24, 2024
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  5. Add new DSD-PBE**-D3(BJ) from 10.1002/jcc.23391; resort previously added

    @foxtran
    foxtran committed Sep 24, 2024
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  6. Add new DSD-PBEh**-D3(BJ) from 10.1002/jcc.23391

    @foxtran
    foxtran committed Sep 24, 2024
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  7. Add new DSD-mPW**-D3(BJ) from 10.1002/jcc.23391

    @foxtran
    foxtran committed Sep 24, 2024
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  8. Add new DSD-HSE**-D3(BJ) from 10.1002/jcc.23391

    @foxtran
    foxtran committed Sep 24, 2024
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  9. Add new DSD-TPSS**-D3(BJ) from 10.1002/jcc.23391

    @foxtran
    foxtran committed Sep 24, 2024
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  10. Add new DSD-O/X**-D3(BJ) from 10.1002/jcc.23391

    @foxtran
    foxtran committed Sep 24, 2024
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  11. Add new DSD-[B98/BMK/tHCTH/HCTH407]-D3(BJ) from 10.1002/jcc.23391

    @foxtran
    foxtran committed Sep 24, 2024
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  12. Add all DOD-DFT-D3(BJ) from 10.1002/jcc.23391

    @foxtran
    foxtran committed Sep 24, 2024
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  13. Put dsd functionals in order

    @foxtran
    foxtran committed Sep 24, 2024
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Commits on Sep 25, 2024

  1. Merge branch 'main' into feature/d3bj_for_mrcc

    @foxtran
    foxtran authored Sep 25, 2024
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Commits on Sep 28, 2024

  1. Add citations to parameter file

    @awvwgk
    awvwgk authored Sep 28, 2024
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  2. Add further references

    @awvwgk
    awvwgk authored Sep 28, 2024
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  3. Fix formatting

    @awvwgk
    awvwgk authored Sep 28, 2024
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  4. Update DSDBLYP name

    @awvwgk
    awvwgk authored Sep 28, 2024
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  5. Change functional names

    @awvwgk
    awvwgk authored Sep 28, 2024
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  6. Fix param.f90

    @awvwgk
    awvwgk authored Sep 28, 2024
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  7. Update test_param.f90

    @awvwgk
    awvwgk authored Sep 28, 2024
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  8. Remove MRCC specific parameters without reference

    @awvwgk
    awvwgk committed Sep 28, 2024
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  9. Fix parameter file

    @awvwgk
    awvwgk committed Sep 28, 2024
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  10. Fix parameters again

    @awvwgk
    awvwgk committed Sep 28, 2024
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  11. Cleanup journal name

    @awvwgk
    awvwgk committed Sep 28, 2024
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