Hamiltonian_module.f90 File Reference

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Data Types
type	hamiltonian_module::basehamiltonian
	This is an abstract class that contains the majority of functionality required to construct hamiltonians. More...
interface	hamiltonian_module::generic_build
	Main build routine of the hamiltonian. More...

Modules
module	hamiltonian_module
	Base Hamiltonian module.

Functions/Subroutines
subroutine	hamiltonian_module::construct_base_hamiltonian (this, option, csfs, orbitals, integral)
	Constructs the hamiltonain object and provides all the various componenets required for building. More...
subroutine	hamiltonian_module::slater_rules (this, csf_a, csf_b, sym_elements, flag, job_)
	Performs Slater rules and returns symbolic elements. More...
subroutine	hamiltonian_module::handle_two_pair (this, dtrs, coeff, sym_element, flag)
	Handles if there are two pairs of spin orbitals that differ. More...
subroutine	hamiltonian_module::handle_one_pair (this, dtrs, coeff, sym_element, csf, flag)
	Handles if there are one pair of spin orbitals that differ. More...
subroutine	hamiltonian_module::handle_same (this, dtrs, coeff, sym_element, csf, flag)
	Handles if there are no differences between spin orbitals. More...
real(wp) function	hamiltonian_module::evaluate_integrals_singular (this, label, coeff, dummy_orb)
	Evaluates a single integral from labels and also checks for dummy orbitals. More...
real(wp) function	hamiltonian_module::evaluate_integrals (this, symbolic_elements, dummy_orb)
	Evaluates all integrals from a list of symbolic elements. More...
logical function	hamiltonian_module::my_job (this)
	Used by the easy MPI parallelization of slater loops. More...
integer function	hamiltonian_module::fast_slat (rep1, rep2, fin1, fin2, num_rep1, num_rep2, spin_orbs, tot_num_spin_orbs)
	? More...