moduleallocatables.F90 File Reference

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Modules
module	moduleallocatables
	This module contains declarations of all allocatable variables and the (de)allocate subroutines.
Functions/Subroutines
subroutine	moduleallocatables::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	moduleallocatables::deallocate_systemArrays
	This routine deallocates all allocatable arrays allocated by allocate_systemArrays.
Variables
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::rho_jk_zero
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::rho_jk_tauhalf
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::rho_jk_tau
COMPLEX *16, dimension(:,:,:,:), allocatable	moduleallocatables::rho_ijkl_zero
COMPLEX *16, dimension(:,:,:,:), allocatable	moduleallocatables::rho_ijkl_tauhalf
COMPLEX *16, dimension(:,:,:,:), allocatable	moduleallocatables::rho_ijkl_tau
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::AuxPsi
COMPLEX *16, dimension(:), allocatable	moduleallocatables::Psi_WORK
COMPLEX *16, dimension(:), allocatable	moduleallocatables::DtPsi_WORK
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::Psi_zero
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::Psi_tauhalf
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::Psi_tildetauhalf
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::Psi_tau
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::DtPsiCheck
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::DtPsi
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::FTPsi
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::norbs
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::Delta_Psi
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::diffPsi
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::Chi
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::projectedChi
REAL *8, dimension(:), allocatable	moduleallocatables::noccs
complex *16, dimension(:), allocatable	moduleallocatables::DtCVec
complex *16, dimension(:), allocatable	moduleallocatables::CVec_zero
complex *16, dimension(:), allocatable	moduleallocatables::CVec_tauhalf
complex *16, dimension(:), allocatable	moduleallocatables::CVec_tau
complex *16, dimension(:), allocatable	moduleallocatables::CVec_tildezero
complex *16, dimension(:), allocatable	moduleallocatables::Delta_CVec
complex *16, dimension(:,:), allocatable	moduleallocatables::BandMat
complex *16, dimension(:,:), allocatable	moduleallocatables::Krylov
COMPLEX *16, dimension(:,:), allocatable	moduleallocatables::mu_kj
COMPLEX *16, dimension(:,:,:,:,:), allocatable	moduleallocatables::CData
REAL *8, dimension(:), allocatable	moduleallocatables::V_ext
REAL *8, dimension(:), allocatable	moduleallocatables::p2over2m
REAL *8, dimension(:), allocatable	moduleallocatables::gridx
REAL *8, dimension(:), allocatable	moduleallocatables::gridy
REAL *8, dimension(:), allocatable	moduleallocatables::gridz
COMPLEX *16, dimension(:), allocatable	moduleallocatables::vtilde