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tblite
Light-weight tight-binding framework
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Provides a polarizable continuum model. More...
Data Types | |
| type | tblite_solvation_cpcm::cpcm_input |
| Input for CPCM solvation. More... | |
| interface | tblite_solvation_cpcm::cpcm_solvation |
| Definition of polarizable continuum model. More... | |
Modules | |
| module | tblite_solvation_cpcm |
| Implicit solvation model based on a polarizable dielectric continuum. | |
Functions/Subroutines | |
| subroutine, public | tblite_solvation_cpcm::new_cpcm (self, mol, input, error) |
| Create new electric field container. | |
Variables | |
| character(len= *), parameter | tblite_solvation_cpcm::label = "polarizable continuum model" |
| Identifier for container. | |
Provides a polarizable continuum model.