hamiltonians.f90 File Reference

Modules
module	hamiltonians
	This module contains the necessary subroutines and functions to deal with Hamiltonians in the diabatic basis and will be extended in a future version to deal with adiabatic basis.

Functions/Subroutines
subroutine	hamiltonians::initialize_hel
	Allocates the electronic (system) Hamiltonian to be a matrix of size nstate X nstate. More...
subroutine	hamiltonians::read_hel
	Reads the input electronic (or system) Hamiltonian from a file called "hel.in". More...
subroutine	hamiltonians::finalize_hel
	Deallocates the electronic (system) Hamiltonian. More...
real(dp) function, dimension(nstate, nstate)	hamiltonians::diabatic_bilinear_coupling_hamiltonian (x_b, coupling_matrix)
	Takes the bath position and uses electronic hamiltonian to calculate hel + V(x_bath) including the harmonic potential energy of the bath. More...

Variables
real(dp), dimension(:,:), allocatable	hamiltonians::hel