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... | |
type | 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.