tblite
Light-weight tight-binding framework
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data Directory Reference

Provides solvent specific data for parametrized solvation models.

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Files

 cds.f90
 Provides ALPB/GBSA cds parameters.
 
 shift.f90
 Provides parameters for solvation state shift.
 

Detailed Description

Provides solvent specific data for parametrized solvation models.