This module contains all the subroutines that evaluate the right-hand-sides of the coefficients' equations of motion. These routines are mostly called by the various integrators of the coefficients' equ. of motion. More...

Public Member Functions
subroutine	get_hamiltonianaction_ci (VIN, VOUT)
	Routine to obtain the action of the Hamiltonian on the vector of coefficients. More...

subroutine	get_hamiltonianaction_ci_time (dummyTIME, VIN, VOUT)
	Routine to obtain the action of the Hamiltonian on the vector of coefficients. Contains time as a dummy argument (needed for some of the integrators). More...

subroutine	get_hamiltonianaction_ci_time_abm (dummyTIME, VIN, VOUT)
	Routine dedicated for the (NOT WORKING) integration of the coefficients equations of motion with the ABM routine. More...

subroutine	get_hamiltonianaction_ci_core (MYID, VIN)
	Core routine called by all MPI processes during the evaluation of the Hamiltonian's action on the CI vector. More...

subroutine	get_hamiltoniandiagonal (VIN, HDIAGONAL)
	Routine to evaluate the diagonal of the Hamiltonian action on the vector of coefficients (used by Davidson methods). More...

subroutine	get_hamiltoniandiagonal_core (VIN, HDIAGONAL)
	Routine to evaluate the diagonal of the Hamiltonian by applying the diagonal part of the mapping. More...

subroutine	apply_mapping_1body (MYID, VIN)
	Routine applies mapping for the action of one-body operators. More...

subroutine	apply_mapping_2body (MYID, VIN)
	Routine applies the mapping for the action of two-body operators. More...

subroutine	apply_mapping_1body_fermions (MYID, VIN)
	Apply Mapping for 1body operators for fermions. More...

subroutine	apply_mapping_1body_diagonal (MYID, VIN)
	Routine applies mapping for the action of one-body operators' diagonal. More...

subroutine	apply_mapping_1body_diagonal_fermions (MYID, VIN)
	Routine applies mapping for the action of one-body operators' diagonal. More...

subroutine	apply_mapping_2body_fermions (MYID, VIN)
	Routine applies the mapping for the action of two-body operators for fermions. More...

subroutine	apply_mapping_2body_diagonal_fermions (MYID, VIN)
	Routine applies the mapping for the action of two-body operators' diagonal for fermions. More...

subroutine	apply_mapping_2body_diagonal (MYID, VIN)
	Routine applies the mapping for the action of two-body operators' diagonal. More...

subroutine	initialize_coefficient_parameters
	Initialize variables and arrays needed in dealing with the coefficients. Namely the number of configurations Nconf, array of Binomial coefficients MatrixOfBinomialCoefficients, the arrays TERM_INDEX_1B and TERM_REQ_1B as well as TERM_INDEX_2B and TERM_REQ_2B for the compact storage of the matrix elements of the reduced one and two-body densities, respectively. More...

Detailed Description

This module contains all the subroutines that evaluate the right-hand-sides of the coefficients' equations of motion. These routines are mostly called by the various integrators of the coefficients' equ. of motion.

Member Function/Subroutine Documentation

subroutine hamiltonianaction_coefficients::apply_mapping_1body	(	integer	MYID,
		complex*16, dimension(nconf)	VIN
	)

Routine applies mapping for the action of one-body operators.

Referenced by get_hamiltonianaction_ci_core().

Here is the caller graph for this function:

subroutine hamiltonianaction_coefficients::apply_mapping_1body_diagonal	(	integer	MYID,
		complex*16, dimension(nconf)	VIN
	)

Routine applies mapping for the action of one-body operators' diagonal.

Referenced by get_hamiltoniandiagonal_core().

Here is the caller graph for this function:

subroutine hamiltonianaction_coefficients::apply_mapping_1body_diagonal_fermions	(	integer	MYID,
		complex*16, dimension(nconf)	VIN
	)

Routine applies mapping for the action of one-body operators' diagonal.

Referenced by get_hamiltoniandiagonal_core().

Here is the caller graph for this function:

subroutine hamiltonianaction_coefficients::apply_mapping_1body_fermions	(	integer	MYID,
		complex*16, dimension(nconf)	VIN
	)

Apply Mapping for 1body operators for fermions.

Referenced by get_hamiltonianaction_ci_core().

Here is the caller graph for this function:

subroutine hamiltonianaction_coefficients::apply_mapping_2body	(	integer	MYID,
		complex*16, dimension(nconf)	VIN
	)

Routine applies the mapping for the action of two-body operators.

Referenced by get_hamiltonianaction_ci_core().

Here is the caller graph for this function:

subroutine hamiltonianaction_coefficients::apply_mapping_2body_diagonal	(	integer	MYID,
		complex*16, dimension(nconf)	VIN
	)

Routine applies the mapping for the action of two-body operators' diagonal.

Referenced by get_hamiltoniandiagonal_core().

Here is the caller graph for this function:

subroutine hamiltonianaction_coefficients::apply_mapping_2body_diagonal_fermions	(	integer	MYID,
		complex*16, dimension(nconf)	VIN
	)

Routine applies the mapping for the action of two-body operators' diagonal for fermions.

Referenced by get_hamiltoniandiagonal_core().

Here is the caller graph for this function:

subroutine hamiltonianaction_coefficients::apply_mapping_2body_fermions	(	integer	MYID,
		complex*16, dimension(nconf)	VIN
	)

Routine applies the mapping for the action of two-body operators for fermions.

Referenced by get_hamiltonianaction_ci_core().

Here is the caller graph for this function:

subroutine hamiltonianaction_coefficients::get_hamiltonianaction_ci	(	complex*16, dimension(nconf)	VIN,
		complex*16, dimension(nconf)	VOUT
	)

Routine to obtain the action of the Hamiltonian on the vector of coefficients.

References get_hamiltonianaction_ci_core().

Referenced by orbital_equationofmotion::get_rho_rho_inv().

Here is the call graph for this function:

Here is the caller graph for this function:

subroutine hamiltonianaction_coefficients::get_hamiltonianaction_ci_core	(	integer	MYID,
		complex*16, dimension(nconf)	VIN
	)

Core routine called by all MPI processes during the evaluation of the Hamiltonian's action on the CI vector.

References apply_mapping_1body(), apply_mapping_1body_fermions(), apply_mapping_2body(), apply_mapping_2body_fermions(), onebody_mapconstruction_fermions::get_1body_mapping_fermions(), recursive_1body_mapconstruction::get_1body_mapping_recursive(), twobody_mapconstruction_fermions::get_2body_mapping_fermions(), and recursive_2body_mapconstruction::get_2body_mapping_recursive().

Referenced by get_hamiltonianaction_ci(), get_hamiltonianaction_ci_time(), get_hamiltonianaction_ci_time_abm(), and master_slave_parallelization::slave_process_ci().

Here is the call graph for this function:

Here is the caller graph for this function:

subroutine hamiltonianaction_coefficients::get_hamiltonianaction_ci_time	(	real*8	dummyTIME,
		complex*16, dimension(nconf)	VIN,
		complex*16, dimension(nconf)	VOUT
	)

Routine to obtain the action of the Hamiltonian on the vector of coefficients. Contains time as a dummy argument (needed for some of the integrators).

References get_hamiltonianaction_ci_core().

Referenced by integration::integrator_block_ci(), and integration::integrator_ci().

Here is the call graph for this function:

Here is the caller graph for this function:

subroutine hamiltonianaction_coefficients::get_hamiltonianaction_ci_time_abm	(	real*8	dummyTIME,
		complex*16, dimension(nconf)	VIN,
		complex*16, dimension(nconf)	VOUT
	)

Routine dedicated for the (NOT WORKING) integration of the coefficients equations of motion with the ABM routine.

References get_hamiltonianaction_ci_core().

Here is the call graph for this function:

subroutine hamiltonianaction_coefficients::get_hamiltoniandiagonal	(	complex*16, dimension(nconf)	VIN,
		complex*16, dimension(nconf)	HDIAGONAL
	)

Routine to evaluate the diagonal of the Hamiltonian action on the vector of coefficients (used by Davidson methods).

References get_hamiltoniandiagonal_core().

Referenced by dav_integrators::bdavstep(), and dav_integrators::davstep().

Here is the call graph for this function:

Here is the caller graph for this function:

subroutine hamiltonianaction_coefficients::get_hamiltoniandiagonal_core	(	complex*16, dimension(nconf)	VIN,
		complex*16, dimension(nconf)	HDIAGONAL
	)

Routine to evaluate the diagonal of the Hamiltonian by applying the diagonal part of the mapping.

References apply_mapping_1body_diagonal(), apply_mapping_1body_diagonal_fermions(), apply_mapping_2body_diagonal(), and apply_mapping_2body_diagonal_fermions().

Referenced by get_hamiltoniandiagonal(), and master_slave_parallelization::slave_process_ci().

Here is the call graph for this function:

Here is the caller graph for this function:

subroutine hamiltonianaction_coefficients::initialize_coefficient_parameters ( )

Initialize variables and arrays needed in dealing with the coefficients. Namely the number of configurations Nconf, array of Binomial coefficients MatrixOfBinomialCoefficients, the arrays TERM_INDEX_1B and TERM_REQ_1B as well as TERM_INDEX_2B and TERM_REQ_2B for the compact storage of the matrix elements of the reduced one and two-body densities, respectively.

References function_library::binomialcoefficient().

Referenced by analysis_main_program(), and mctdhx::mctdhx_routine().

Here is the call graph for this function:

Here is the caller graph for this function:

The documentation for this module was generated from the following file:

Module_HamiltonianAction_Coefficients.F

Public Member Functions

Detailed Description

Member Function/Subroutine Documentation