diagonalize Module Reference

Diagonalization routines needed for the main program. More...

Public Member Functions
subroutine	guess_diag (PSI, Vext)
	Builds and diagonalizes the one-body Hamiltonian to get the initial orbitals for a calculation. More...
subroutine	mtrx_diag
	Diagonalization of an Rdim x Rdim symmetric Matrix. More...

Detailed Description

Diagonalization routines needed for the main program.

Member Function/Subroutine Documentation

subroutine diagonalize::guess_diag	(	complex*16, dimension(ndvr_x*ndvr_y*ndvr_z,morb)	PSI,
		real*8, dimension(ndvr_x*ndvr_y*ndvr_z)	Vext
	)

Builds and diagonalizes the one-body Hamiltonian to get the initial orbitals for a calculation.

Referenced by get_initial_orbitals().

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subroutine diagonalize::mtrx_diag

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Diagonalization of an Rdim x Rdim symmetric Matrix.

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

• Module_Diagonalize.F