tblite
Light-weight tight-binding framework
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solvation Directory Reference

Contains the implementation of the implicit solvation models.

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Files

 alpb.f90
 Provides the analytical linearized Poission-Boltzmann model.
 
 born.f90
 Provides a Born radii integrator.
 
 cds.f90
 Provides non-polar contributions to the solvation free energy.
 
 cpcm.f90
 Provides a polarizable continuum model.
 
 cpcm_dd.f90
 Provides a domain decomposition solver for the conductor like screening model.
 
 data.f90
 Provides element specific data.
 
 input.f90
 Provides a collection of all input configurations.
 
 surface.f90
 Provides a surface integrator.
 
 type.f90
 Provides a base class for all implicit solvation models.
 

Detailed Description

Contains the implementation of the implicit solvation models.