Add more D3(BJ) parametrizations#103

Merged

awvwgk merged 25 commits intodftd3:mainfrom

foxtran:feature/d3bj_for_mrcc

Sep 28, 2024

Commits on Sep 24, 2024

Add DSD-PBEP86-D3BJ from 10.1039/c1cp22592h
Igor S. Gerasimov
committed
Add dRPA75-D3(BJ) and SCS-dRPA75-D3(BJ) from MRCC source code
Igor S. Gerasimov
committed
Add DSD-S**-D3(BJ) from 10.1002/jcc.23391
Igor S. Gerasimov
committed
Add DSD-B**-D3(BJ) from 10.1002/jcc.23391
Igor S. Gerasimov
committed
Add new DSD-PBE**-D3(BJ) from 10.1002/jcc.23391; resort previously added
Igor S. Gerasimov
committed
Add new DSD-PBEh**-D3(BJ) from 10.1002/jcc.23391
Igor S. Gerasimov
committed
Add new DSD-mPW**-D3(BJ) from 10.1002/jcc.23391
Igor S. Gerasimov
committed
Add new DSD-HSE**-D3(BJ) from 10.1002/jcc.23391
Igor S. Gerasimov
committed
Add new DSD-TPSS**-D3(BJ) from 10.1002/jcc.23391
Igor S. Gerasimov
committed
Add new DSD-O/X**-D3(BJ) from 10.1002/jcc.23391
Igor S. Gerasimov
committed
Add new DSD-[B98/BMK/tHCTH/HCTH407]-D3(BJ) from 10.1002/jcc.23391
Igor S. Gerasimov
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Add all DOD-DFT-D3(BJ) from 10.1002/jcc.23391
Igor S. Gerasimov
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Put dsd functionals in order
Igor S. Gerasimov
committed

Commits on Sep 25, 2024

Merge branch 'main' into feature/d3bj_for_mrcc
foxtran
authored