shift.f90 File Reference

Provides parameters for solvation state shift. More...

Modules
module	tblite_solvation_data_shift
	ALPB/GBSA shift parameters.

Functions/Subroutines
subroutine, public	tblite_solvation_data_shift::get_shift_param (input, method, error)
	Get ALPB/GBSA shift parameters.

Detailed Description

Provides parameters for solvation state shift.