This module collects useful functions and vector routines. More...

Public Member Functions
real *8 function	factorial (N)
	Compute factorial. More...

real *8 function	logfactorial (N)
	Compute logarithm of factorial. More...

real *8 function	binomialcoefficient (N, K)
	Compute a Binomial coefficient. More...

real *8 function	ddgamma (x)
	Compute the Gamma function. More...

double precision function	dlgama (x)
	Compute the logarithm of the Gamma function. More...

double precision function	beta (a, b)
	Compute the beta function. More...

subroutine	normvxd (vec, norm, dim)
	Calculate the norm of a real vector vec of dimension dim. More...

subroutine	normvxz (vec, norm, dim)
	Calculate the norm of a complex vector vec of dimension dim. More...

subroutine	zeromxd (mat, dim1, dim2)
	Set matrix mat of dimension dim1 x dim2 to zero. More...

subroutine	zerovxd (vec, dim)
	Set real vector vec of dimension dim to 0.d0. More...

subroutine	tranqxd (a, dim)
	Transpose a real square dim x dim matrix a. More...

subroutine	cpvxdz (v, w, dim)
	Copy the real vector v to the real part of the complex vector w. More...

subroutine	cpvxd (v, w, dim)
	Copy the real vector v of dimension dim to the real vector w. More...

subroutine	schmidtortho_nlevel (psi, gdim, dim, nlevel, ierr)
	Schmidt Orthonormalization of a set of dim complex vectors of dimension gdim stored in psi. More...

subroutine	schmidtortho_nlevel2 (psi, gdim, dim, nlevel, ierr)
	Schmidt Orthonormalization of a set of dim complex vectors of dimension gdim stored in psi. More...

subroutine	schmidtortho (psi, gdim, dim, ierr)
	Schmidt Orthonormalization of a set of dim complex vectors of dimension gdim stored in psi. More...

subroutine	schmidtorthod (psi, dim)
	Schmidt Orthonormalization of a set of dim real vectors of dimension gdim stored in psi. More...

subroutine	xvixddo (x, v, dim)
	Devides a real vector v of length dim by a real number x. Called by schmidtortho. More...

subroutine	xvixdzo (x, v, dim)
	Devides a complex vector v of length dim by a real number x. More...

subroutine	xvxxdds (x, v, w, dim)
	Subtract from a real vector w of dimension dim x (real) times the real vector v of dimension dim. More...

subroutine	xvxxzzs (x, v, w, dim)
	Subtract from a complex vector w of dimension dim x (complex) times the complex vector v of dimension dim. More...

subroutine	vvtxdd (u, v, s, dim)
	Calculate the scalar product s of the two real vectors u,v of dimension dim. More...

subroutine	vvaxzz (u, v, s, dim)
	Calculate the scalar product s of the two complex vectors u,v of dimension dim. More...

Detailed Description

This module collects useful functions and vector routines.

Member Function/Subroutine Documentation

double precision function function_library::beta	(	double precision	a,
		double precision	b
	)

Compute the beta function.

References dlgama().

Referenced by dav_integrators::bdavstep(), binomialcoefficient(), dav_integrators::davstep(), nr::brent::dbrent::dfpmin::mnbrak::modlnp(), runge_kutta::od85cr(), runge_kutta::odp5cr(), runge_kutta::rungekutta5(), runge_kutta::rungekutta8(), sil_integrators::sildiag(), sil_integrators::silstep(), and nr::brent::dbrent::dfpmin::mnbrak::ssbfgs().

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real*8 function function_library::binomialcoefficient	(	integer	N,
		integer	K
	)

Compute a Binomial coefficient.

References beta().

Referenced by coefficients_parameters::coefficients_parameters_init(), analysis_routines_manybody::get_anyordercorrelations(), analysis_routines_manybody::get_singleshot(), input_output::guess_read_ci(), and hamiltonianaction_coefficients::initialize_coefficient_parameters().

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subroutine function_library::cpvxd	(	real*8, dimension(dim)	v,
		real*8, dimension(dim)	w,
		integer	dim
	)

Copy the real vector v of dimension dim to the real vector w.

Referenced by sil_integrators::sildiag(), and sil_integrators::silstep().

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subroutine function_library::cpvxdz	(	real*8, dimension(dim)	v,
		complex*16, dimension(dim)	w,
		integer	dim
	)

Copy the real vector v to the real part of the complex vector w.

real*8 function function_library::ddgamma ( real*8 x )

Compute the Gamma function.

Referenced by get_initial_orbitals().

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double precision function function_library::dlgama ( double precision x )

Compute the logarithm of the Gamma function.

Referenced by beta(), auxiliary_analysis_routines::loopy_permanent(), and auxiliary_analysis_routines::u_transform().

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real*8 function function_library::factorial ( integer N )

Compute factorial.

Referenced by auxiliary_analysis_routines::u_trans().

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real*8 function function_library::logfactorial ( integer N )

Compute logarithm of factorial.

subroutine function_library::normvxd	(	real*8, dimension(dim)	vec,
		real*8	norm,
		integer	dim
	)

Calculate the norm of a real vector vec of dimension dim.

Referenced by schmidtorthod().

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subroutine function_library::normvxz	(	complex*16, dimension(dim)	vec,
		real*8	norm,
		integer	dim
	)

Calculate the norm of a complex vector vec of dimension dim.

Referenced by dvr_initialization::gengauss(), dvr_initialization::genhigher(), analysis_routines_2d::get_lz(), auxiliary_fftroutines::get_sorted_fft(), and auxiliary_fftroutines::twod_zero_padding().

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subroutine function_library::schmidtortho	(	complex*16, dimension(gdim,dim)	psi,
		integer	gdim,
		integer	dim,
		integer	ierr
	)

Schmidt Orthonormalization of a set of dim complex vectors of dimension gdim stored in psi.

Referenced by orbital_equationofmotion::func(), dvr_initialization::gengauss(), get_initial_orbitals(), analysis_routines_manybody::get_loc_frag(), input_output::guess_read_orb(), dvr_initialization::init_kineticenergy_dvr(), and schmidtortho_nlevel2().

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subroutine function_library::schmidtortho_nlevel	(	complex*16, dimension(gdim,dim,nlevel)	psi,
		integer	gdim,
		integer	dim,
		integer	nlevel,
		integer	ierr
	)

Schmidt Orthonormalization of a set of dim complex vectors of dimension gdim stored in psi.

Referenced by orbital_equationofmotion::func_nlevel(), and get_initial_nlevelorbitals().

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subroutine function_library::schmidtortho_nlevel2	(	complex*16, dimension(gdim,dim,nlevel)	psi,
		integer	gdim,
		integer	dim,
		integer	nlevel,
		integer	ierr
	)

Schmidt Orthonormalization of a set of dim complex vectors of dimension gdim stored in psi.

References schmidtortho().

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subroutine function_library::schmidtorthod	(	real*8, dimension(dim,dim)	psi,
		integer	dim
	)

Schmidt Orthonormalization of a set of dim real vectors of dimension gdim stored in psi.

References normvxd(), tranqxd(), vvtxdd(), xvixddo(), and xvxxdds().

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subroutine function_library::tranqxd	(	real*8, dimension(dim,dim)	a,
		integer	dim
	)

Transpose a real square dim x dim matrix a.

Referenced by schmidtorthod().

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subroutine function_library::vvaxzz	(	complex*16, dimension(dim)	u,
		complex*16, dimension(dim)	v,
		complex*16	s,
		integer	dim
	)

Calculate the scalar product s of the two complex vectors u,v of dimension dim.

Referenced by dvr_initialization::genhigher().

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subroutine function_library::vvtxdd	(	real*8, dimension(dim)	u,
		real*8, dimension(dim)	v,
		real*8	s,
		integer	dim
	)

Calculate the scalar product s of the two real vectors u,v of dimension dim.

Referenced by schmidtorthod().

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subroutine function_library::xvixddo	(	real*8	x,
		real*8, dimension(dim)	v,
		integer	dim
	)

Devides a real vector v of length dim by a real number x. Called by schmidtortho.

Referenced by schmidtorthod().

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subroutine function_library::xvixdzo	(	real*8	x,
		complex*16, dimension(dim)	v,
		integer	dim
	)

Devides a complex vector v of length dim by a real number x.

Referenced by dvr_initialization::gengauss(), dvr_initialization::genhigher(), auxiliary_fftroutines::get_sorted_fft(), and auxiliary_fftroutines::twod_zero_padding().

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subroutine function_library::xvxxdds	(	real*8	x,
		real*8, dimension(dim)	v,
		real*8, dimension(dim)	w,
		integer	dim
	)

Subtract from a real vector w of dimension dim x (real) times the real vector v of dimension dim.

Referenced by schmidtorthod().

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subroutine function_library::xvxxzzs	(	complex*16	x,
		complex*16, dimension(dim)	v,
		complex*16, dimension(dim)	w,
		integer	dim
	)

Subtract from a complex vector w of dimension dim x (complex) times the complex vector v of dimension dim.

Referenced by dvr_initialization::genhigher().

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subroutine function_library::zeromxd	(	real*8, dimension(dim1,dim2)	mat,
		integer	dim1,
		integer	dim2
	)

Set matrix mat of dimension dim1 x dim2 to zero.

Referenced by dvr_initialization::initexp(), dvr_initialization::initho(), and dvr_initialization::initrho().

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subroutine function_library::zerovxd	(	real*8, dimension(dim)	vec,
		integer	dim
	)

Set real vector vec of dimension dim to 0.d0.

Referenced by dav_integrators::bdavstep(), and dvr_initialization::initho().

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

Module_Function_Library.f

Public Member Functions

Detailed Description

Member Function/Subroutine Documentation