AM1 parameters are incomplete

[thegodone]

I see that you have MOPAC parameters for AM1 but it looks incomplete compair to this one https://github.com/openmopac/mopac/blob/main/src/models/parameters_for_AM1_C.F90

can you explain the difference ?

I also wonder if you can add the RM1 parameters too cause this is the only difference between AM1 and reparametrisation of AM1 called Recife Model 1 or RM1 => https://onlinelibrary.wiley.com/doi/10.1002/jcc.20425.

[guoqing-zhou]

Thanks for this.
The parameters we use are from public mopac7. The released code only supports s and p orbitals, and only a subset of the parameters are used for computing energies for atoms from H to Cl, for them, I didn't find a difference between the one you share and the included AM1 parameters.

I can help to add the RM1 model and the parameters. Can you help send the article or other related files? Thanks
guoqingz [AT] usc dot edu