moduleallocatables Module Reference

This module contains declarations of all allocatable variables and the (de)allocate subroutines. More...

Functions/Subroutines
subroutine	allocate_systemArrays (NDX, NDY, NDZ, MOrb, nConf, nSuperDiags)
	This routine allocates all arrays that depend on the input parameters, e.g., the array containing the orbitals Psi, the vector containing the coefficients CVec, etc.
subroutine	deallocate_systemArrays
	This routine deallocates all allocatable arrays allocated by allocate_systemArrays.
Variables
COMPLEX *16, dimension(:,:), allocatable	rho_jk_zero
COMPLEX *16, dimension(:,:), allocatable	rho_jk_tauhalf
COMPLEX *16, dimension(:,:), allocatable	rho_jk_tau
COMPLEX *16, dimension(:,:,:,:), allocatable	rho_ijkl_zero
COMPLEX *16, dimension(:,:,:,:), allocatable	rho_ijkl_tauhalf
COMPLEX *16, dimension(:,:,:,:), allocatable	rho_ijkl_tau
COMPLEX *16, dimension(:,:), allocatable	AuxPsi
COMPLEX *16, dimension(:), allocatable	Psi_WORK
COMPLEX *16, dimension(:), allocatable	DtPsi_WORK
COMPLEX *16, dimension(:,:), allocatable	Psi_zero
COMPLEX *16, dimension(:,:), allocatable	Psi_tauhalf
COMPLEX *16, dimension(:,:), allocatable	Psi_tildetauhalf
COMPLEX *16, dimension(:,:), allocatable	Psi_tau
COMPLEX *16, dimension(:,:), allocatable	DtPsiCheck
COMPLEX *16, dimension(:,:), allocatable	DtPsi
COMPLEX *16, dimension(:,:), allocatable	FTPsi
COMPLEX *16, dimension(:,:), allocatable	norbs
COMPLEX *16, dimension(:,:), allocatable	Delta_Psi
COMPLEX *16, dimension(:,:), allocatable	diffPsi
COMPLEX *16, dimension(:,:), allocatable	Chi
COMPLEX *16, dimension(:,:), allocatable	projectedChi
REAL *8, dimension(:), allocatable	noccs
complex *16, dimension(:), allocatable	DtCVec
complex *16, dimension(:), allocatable	CVec_zero
complex *16, dimension(:), allocatable	CVec_tauhalf
complex *16, dimension(:), allocatable	CVec_tau
complex *16, dimension(:), allocatable	CVec_tildezero
complex *16, dimension(:), allocatable	Delta_CVec
complex *16, dimension(:,:), allocatable	BandMat
complex *16, dimension(:,:), allocatable	Krylov
COMPLEX *16, dimension(:,:), allocatable	mu_kj
COMPLEX *16, dimension(:,:,:,:,:), allocatable	CData
REAL *8, dimension(:), allocatable	V_ext
REAL *8, dimension(:), allocatable	p2over2m
REAL *8, dimension(:), allocatable	gridx
REAL *8, dimension(:), allocatable	gridy
REAL *8, dimension(:), allocatable	gridz
COMPLEX *16, dimension(:), allocatable	vtilde

---

Detailed Description

This module contains declarations of all allocatable variables and the (de)allocate subroutines.

Author:

Kaspar Sakmann (2012)

Since:

2007

Todo:

document variables of this module

---

Function/Subroutine Documentation

subroutine moduleallocatables::allocate_systemArrays	(	INTEGER,intent(in)	NDX,
		INTEGER,intent(in)	NDY,
		INTEGER,intent(in)	NDZ,
		INTEGER,intent(in)	MOrb,
		INTEGER,intent(in)	nConf,
		INTEGER,intent(in)	nSuperDiags
	)

This routine allocates all arrays that depend on the input parameters, e.g., the array containing the orbitals Psi, the vector containing the coefficients CVec, etc.

Authors:

Kaspar Sakmann (2011)

Since:

2007

Todo:

maybe get rid of the use association

Definition at line 58 of file moduleallocatables.F90.

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subroutine moduleallocatables::deallocate_systemArrays

(

)

This routine deallocates all allocatable arrays allocated by allocate_systemArrays.

Authors:

Kaspar Sakmann (2011)

Since:

2007

Definition at line 170 of file moduleallocatables.F90.

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---

Variable Documentation

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::AuxPsi

Definition at line 18 of file moduleallocatables.F90.

complex*16,dimension(:,:),allocatable moduleallocatables::BandMat

Definition at line 30 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:,:,:,:),allocatable moduleallocatables::CData

Definition at line 36 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::Chi

Definition at line 20 of file moduleallocatables.F90.

complex*16,dimension(:),allocatable moduleallocatables::CVec_tau

Definition at line 28 of file moduleallocatables.F90.

complex*16,dimension(:),allocatable moduleallocatables::CVec_tauhalf

Definition at line 28 of file moduleallocatables.F90.

complex*16,dimension(:),allocatable moduleallocatables::CVec_tildezero

Definition at line 28 of file moduleallocatables.F90.

complex*16,dimension(:),allocatable moduleallocatables::CVec_zero

Definition at line 28 of file moduleallocatables.F90.

complex*16,dimension(:),allocatable moduleallocatables::Delta_CVec

Definition at line 28 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::Delta_Psi

Definition at line 20 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::diffPsi

Definition at line 20 of file moduleallocatables.F90.

complex*16,dimension(:),allocatable moduleallocatables::DtCVec

Definition at line 28 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::DtPsi

Definition at line 20 of file moduleallocatables.F90.

COMPLEX*16,dimension(:),allocatable moduleallocatables::DtPsi_WORK

Definition at line 19 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::DtPsiCheck

Definition at line 20 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::FTPsi

Definition at line 20 of file moduleallocatables.F90.

REAL*8,dimension(:),allocatable moduleallocatables::gridx

Definition at line 41 of file moduleallocatables.F90.

REAL*8,dimension(:),allocatable moduleallocatables::gridy

Definition at line 41 of file moduleallocatables.F90.

REAL*8,dimension(:),allocatable moduleallocatables::gridz

Definition at line 41 of file moduleallocatables.F90.

complex*16,dimension(:,:),allocatable moduleallocatables::Krylov

Definition at line 30 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::mu_kj

Definition at line 32 of file moduleallocatables.F90.

REAL*8,dimension(:),allocatable moduleallocatables::noccs

Definition at line 24 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::norbs

Definition at line 20 of file moduleallocatables.F90.

REAL*8,dimension(:),allocatable moduleallocatables::p2over2m

Definition at line 40 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::projectedChi

Definition at line 20 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::Psi_tau

Definition at line 20 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::Psi_tauhalf

Definition at line 20 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::Psi_tildetauhalf

Definition at line 20 of file moduleallocatables.F90.

COMPLEX*16,dimension(:),allocatable moduleallocatables::Psi_WORK

Definition at line 19 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::Psi_zero

Definition at line 20 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:,:,:),allocatable moduleallocatables::rho_ijkl_tau

Definition at line 13 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:,:,:),allocatable moduleallocatables::rho_ijkl_tauhalf

Definition at line 13 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:,:,:),allocatable moduleallocatables::rho_ijkl_zero

Definition at line 13 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::rho_jk_tau

Definition at line 12 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::rho_jk_tauhalf

Definition at line 12 of file moduleallocatables.F90.

COMPLEX*16,dimension(:,:),allocatable moduleallocatables::rho_jk_zero

Definition at line 12 of file moduleallocatables.F90.

REAL*8,dimension(:),allocatable moduleallocatables::V_ext

Definition at line 40 of file moduleallocatables.F90.

COMPLEX*16,dimension(:),allocatable moduleallocatables::vtilde

Definition at line 44 of file moduleallocatables.F90.