ElemCo.jl documentation logo
ElemCo.jl documentation
  • Home
  • Manual
    • Running calculations
    • Options
  • Internals
    • Basis set
    • Bi-orthogonal Hartree-Fock
    • Coupled-cluster methods
    • Driver for conventional coupled-cluster methods
    • Coupled-cluster tools
    • Constants and transformations between units
    • Tensor-decomposition tools
    • Density-fitted Coupled Cluster methods
    • Generation of integrals using density fitting
    • Density-fitted Hartree-Fock
    • MCSCF program
    • Density-fitting tools
    • DIIS solver
    • DMRG
      • Exported functions
      • Internal functions
    • FCIDump files
    • Dump tools
    • Elements
    • ElemCo.jl global information
    • ElemCo.jl methods
    • Fock builders
    • Integrals
    • I/O routines
    • Memory-maping of NPY files
    • Molecular system
    • Orbital tools
    • QMTensors
    • Tensor tools
    • Ordered descriptive dictionary
    • Utils
    • Version Info
    • Interfaces
    • Molpro Interface
    • Molden Interface
  • Release notes
Version
  • Internals
  • DMRG
  • DMRG
GitHub

DMRG

ElemCo.DMRG — Module
DMRG

Density Matrix Renormalization Group (DMRG) calculations using ITensors.jl package.

The functionality is moved to an extension, i.e., one has to load ITensors.jl package to use DMRG calculations.

Example

using ElemCo, ITensors
fcidump = "h2o.fcidump"
@cc dmrg
source

Exported functions

ElemCo.DMRG.calc_dmrg — Method
calc_dmrg

Perform DMRG calculation

source

Internal functions

« DIIS solverFCIDump files »

Powered by Documenter.jl and the Julia Programming Language.

Settings


This document was generated with Documenter.jl version 1.10.1 on Thursday 17 April 2025. Using Julia version 1.10.9.