basis_data_generic_gbl Module Reference

Functions/Subroutines
subroutine	normalize_CGTO_shell (this)
subroutine	read_CGTO_shell (this, lunit, posit, pos_after_rw)
subroutine	write_CGTO_shell (this, lunit, posit, pos_after_rw)
subroutine	print_CGTO_shell (this)
real(kind=cfp) function, dimension(this%number_of_functions, n_points)	eval_CGTO_shell (this, r, n_points)
character(len=line_len) function	name_CGTO_shell (this)
subroutine	write_BTO_shell (this, lunit, posit, pos_after_rw)
subroutine	print_BTO_shell (this)
real(kind=cfp) function, dimension(this%number_of_functions, n_points)	eval_BTO_shell (this, r, n_points)
character(len=line_len) function	name_BTO_shell (this)
subroutine	normalize_orbital_data (this)
subroutine	write_orbital_data (this, lunit, posit, pos_after_rw)
subroutine	print_orbital_data (this)
subroutine	write_bdg (this, path)

Function/Subroutine Documentation

eval_BTO_shell()

real(kind=cfp) function, dimension(this%number_of_functions,n_points) basis_data_generic_gbl::eval_BTO_shell	(	class(bto_shell_data_obj)	this,
		real(kind=cfp), dimension(1:3,n_points), intent(in)	r,
		integer	n_points
	)

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eval_CGTO_shell()

real(kind=cfp) function, dimension(this%number_of_functions,n_points) basis_data_generic_gbl::eval_CGTO_shell	(	class(cgto_shell_data_obj)	this,
		real(kind=cfp), dimension(1:3,n_points), intent(in)	r,
		integer	n_points
	)

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name_BTO_shell()

character(len=line_len) function basis_data_generic_gbl::name_BTO_shell

(

class(bto_shell_data_obj)

this

)

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name_CGTO_shell()

character(len=line_len) function basis_data_generic_gbl::name_CGTO_shell

(

class(cgto_shell_data_obj)

this

)

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normalize_CGTO_shell()

subroutine basis_data_generic_gbl::normalize_CGTO_shell

(

class(cgto_shell_data_obj)

this

)

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normalize_orbital_data()

subroutine basis_data_generic_gbl::normalize_orbital_data

(

class(orbital_data_obj)

this

)

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print_BTO_shell()

subroutine basis_data_generic_gbl::print_BTO_shell

(

class(bto_shell_data_obj)

this

)

print_CGTO_shell()

subroutine basis_data_generic_gbl::print_CGTO_shell

(

class(cgto_shell_data_obj)

this

)

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print_orbital_data()

subroutine basis_data_generic_gbl::print_orbital_data

(

class(orbital_data_obj)

this

)

read_CGTO_shell()

subroutine basis_data_generic_gbl::read_CGTO_shell	(	class(cgto_shell_data_obj)	this,
		integer, intent(in)	lunit,
		integer, intent(in)	posit,
		integer, intent(out)	pos_after_rw
	)

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write_bdg()

subroutine basis_data_generic_gbl::write_bdg	(	class(basis_data_generic_obj)	this,
		character(len=*), intent(in)	path
	)

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write_BTO_shell()

subroutine basis_data_generic_gbl::write_BTO_shell	(	class(bto_shell_data_obj)	this,
		integer, intent(in)	lunit,
		integer, intent(in)	posit,
		integer, intent(out)	pos_after_rw
	)

write_CGTO_shell()

subroutine basis_data_generic_gbl::write_CGTO_shell	(	class(cgto_shell_data_obj)	this,
		integer, intent(in)	lunit,
		integer, intent(in)	posit,
		integer, intent(out)	pos_after_rw
	)

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write_orbital_data()

subroutine basis_data_generic_gbl::write_orbital_data	(	class(orbital_data_obj)	this,
		integer, intent(in)	lunit,
		integer, intent(in)	posit,
		integer, intent(out)	pos_after_rw
	)

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