tblite
Light-weight tight-binding framework
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Provides reexports of the implict solvation model related implementations. More...
Modules | |
module | tblite_solvation |
Proxy module for implicit solvation models. | |
Functions/Subroutines | |
subroutine, public | tblite_solvation::new_solvation (solv, mol, input, error, method) |
Create new solvation model from input data. | |
subroutine, public | tblite_solvation::new_solvation_cds (solv, mol, input, error, method) |
Create new cds solvation model from input data. | |
subroutine, public | tblite_solvation::new_solvation_shift (solv, input, error, method) |
Create new solvation shift from input data. | |
Provides reexports of the implict solvation model related implementations.