OpenMCTDHB v2.3
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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 |