negf_integr_simpson::simpsonrule_type Type Reference

A structure to store data needed for adaptive Simpson's rule algorithm. More...

Data Fields
complex(kind=dp)	a = z_zero
	lower and upper boundaries of the curve on the complex plane
complex(kind=dp)	b = z_zero
integer	shape_id = -1
	ID number which determines the shape of a curve along which the integral will be evaluated.
real(kind=dp)	conv = -1.0_dp
	target accuracy
real(kind=dp)	error = -1.0_dp
	estimated error value on the entire integration interval, as well as on converged sub-intervals only
real(kind=dp)	error_conv = -1.0_dp
type(cp_cfm_type), pointer	integral => NULL()
	the estimated value of the integral on the entire interval
type(cp_cfm_type), pointer	integral_conv => NULL()
	work matrix to store the contribution to the integral on converged sub-intervals
type(cp_cfm_type), pointer	integral_abc => NULL()
	work matrices which stores approximated integral computed by using a/b/c, c/d/e, and a/c/e points respectively
type(cp_cfm_type), pointer	integral_cde => NULL()
type(cp_cfm_type), pointer	integral_ace => NULL()
type(cp_fm_type), pointer	error_fm => NULL()
	work matrix to temporarily store error estimate of the integral on a sub-interval for every matrix element
type(cp_fm_type), pointer	weights => NULL()
	weights associated with matrix elements; the final error is computed as Trace(error_fm * weights)
type(simpsonrule_subinterval_type), dimension(:), allocatable	subintervals
real(kind=dp), dimension(:), allocatable	tnodes
	complete list of nodes over the normalised interval [-1 .. 1] needed to restart Useful when a series of similar integrals need to be computed at an identical set of points, so intermediate quantities can be saved and reused.

Detailed Description

A structure to store data needed for adaptive Simpson's rule algorithm.

Definition at line 70 of file negf_integr_simpson.F.

Field Documentation

a

complex(kind=dp) negf_integr_simpson::simpsonrule_type::a = z_zero

lower and upper boundaries of the curve on the complex plane

Definition at line 72 of file negf_integr_simpson.F.

b

complex(kind=dp) negf_integr_simpson::simpsonrule_type::b = z_zero

Definition at line 72 of file negf_integr_simpson.F.

shape_id

integer negf_integr_simpson::simpsonrule_type::shape_id = -1

ID number which determines the shape of a curve along which the integral will be evaluated.

Definition at line 74 of file negf_integr_simpson.F.

conv

real(kind=dp) negf_integr_simpson::simpsonrule_type::conv = -1.0_dp

target accuracy

Definition at line 76 of file negf_integr_simpson.F.

error

real(kind=dp) negf_integr_simpson::simpsonrule_type::error = -1.0_dp

estimated error value on the entire integration interval, as well as on converged sub-intervals only

Definition at line 79 of file negf_integr_simpson.F.

error_conv

real(kind=dp) negf_integr_simpson::simpsonrule_type::error_conv = -1.0_dp

Definition at line 79 of file negf_integr_simpson.F.

integral

type(cp_cfm_type), pointer negf_integr_simpson::simpsonrule_type::integral => NULL()

the estimated value of the integral on the entire interval

Definition at line 81 of file negf_integr_simpson.F.

integral_conv

type(cp_cfm_type), pointer negf_integr_simpson::simpsonrule_type::integral_conv => NULL()

work matrix to store the contribution to the integral on converged sub-intervals

Definition at line 83 of file negf_integr_simpson.F.

integral_abc

type(cp_cfm_type), pointer negf_integr_simpson::simpsonrule_type::integral_abc => NULL()

work matrices which stores approximated integral computed by using a/b/c, c/d/e, and a/c/e points respectively

Definition at line 85 of file negf_integr_simpson.F.

integral_cde

type(cp_cfm_type), pointer negf_integr_simpson::simpsonrule_type::integral_cde => NULL()

Definition at line 85 of file negf_integr_simpson.F.

integral_ace

type(cp_cfm_type), pointer negf_integr_simpson::simpsonrule_type::integral_ace => NULL()

Definition at line 85 of file negf_integr_simpson.F.

error_fm

type(cp_fm_type), pointer negf_integr_simpson::simpsonrule_type::error_fm => NULL()

work matrix to temporarily store error estimate of the integral on a sub-interval for every matrix element

Definition at line 87 of file negf_integr_simpson.F.

weights

type(cp_fm_type), pointer negf_integr_simpson::simpsonrule_type::weights => NULL()

weights associated with matrix elements; the final error is computed as Trace(error_fm * weights)

Definition at line 89 of file negf_integr_simpson.F.

subintervals

type(simpsonrule_subinterval_type), dimension(:), allocatable negf_integr_simpson::simpsonrule_type::subintervals

Definition at line 91 of file negf_integr_simpson.F.

tnodes

real(kind=dp), dimension(:), allocatable negf_integr_simpson::simpsonrule_type::tnodes

complete list of nodes over the normalised interval [-1 .. 1] needed to restart Useful when a series of similar integrals need to be computed at an identical set of points, so intermediate quantities can be saved and reused.

Definition at line 96 of file negf_integr_simpson.F.

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

• negf_integr_simpson.F