Public Member Functions
subroutine	addhybridorbital_from_array (atom, coefs, outputHybrid)
	Creates a new hybrid with given coefficients (in an array) and adds it to the hybrid list of the atom. More...

subroutine	addhybridorbital_from_array_ptr (atom, coefs, outputHybrid)
	Creates a new hyrbid with coefficients pointing to the given data locations and adds it to the hybrid list of the atom. More...

subroutine	addhybridorbital_from_vals (atom, s, px, py, pz, outputHybrid)
	Creates a new hybrid with given coefficients and adds it to the hybrid list of the atom. More...

Member Function/Subroutine Documentation

◆ addhybridorbital_from_array()

subroutine orbitals_base::addhybridorbital::addhybridorbital_from_array	(	type (particle), intent(inout), target	atom,
		real, dimension(0:3), intent(in)	coefs,
		type(orbital_ptr), optional, pointer	outputHybrid
	)

Creates a new hybrid with given coefficients (in an array) and adds it to the hybrid list of the atom.

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subroutine orbitals_base::addhybridorbital::addhybridorbital_from_array_ptr	(	type (particle), intent(inout), target	atom,
		type(real_ptr), dimension(0:3), intent(in)	coefs,
		type(orbital_ptr), optional, pointer	outputHybrid
	)

Creates a new hyrbid with coefficients pointing to the given data locations and adds it to the hybrid list of the atom.

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subroutine orbitals_base::addhybridorbital::addhybridorbital_from_vals	(	type (particle), intent(inout), target	atom,
		real, intent(in)	s,
		real, intent(in)	px,
		real, intent(in)	py,
		real, intent(in)	pz,
		type(orbital_ptr), optional, pointer	outputHybrid
	)

Creates a new hybrid with given coefficients and adds it to the hybrid list of the atom.

Here is the call graph for this function:

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