How to Install and Uninstall chemps2-doc Package on Ubuntu 21.04 (Hirsute Hippo)

Last updated: November 07,2024

1. Install "chemps2-doc" package

This guide covers the steps necessary to install chemps2-doc on Ubuntu 21.04 (Hirsute Hippo)


    
        
            $
        

        
            
                sudo apt update
            
                    
    
    Copied


    
        
            $
        

        
            
                sudo apt install
            
                        
                chemps2-doc
            
                    
    
    Copied

2. Uninstall "chemps2-doc" package

Please follow the steps below to uninstall chemps2-doc on Ubuntu 21.04 (Hirsute Hippo):


    
        
            $
        

        
            
                sudo apt remove
            
                        
                chemps2-doc
            
                    
    
    Copied


    
        
            $
        

        
            
                sudo apt autoclean && sudo apt autoremove
            
                    
    
    Copied

3. Information about the chemps2-doc package on Ubuntu 21.04 (Hirsute Hippo)

Package: chemps2-doc
Architecture: all
Version: 1.8.10-2
Multi-Arch: foreign
Priority: optional
Section: universe/doc
Source: chemps2
Origin: Ubuntu
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Installed-Size: 985
Filename: pool/universe/c/chemps2/chemps2-doc_1.8.10-2_all.deb
Size: 503940
MD5sum: f5cb358de4bfe561acd8458a44808719
SHA1: fada0e1464912e5837634759127e804d91ecdad2
SHA256: 45cf890b0ba379c9e61c35132057951fc0561f5c8d34aab245d2f268e26ebac6
SHA512: bd276035e73745ec277a70ec35ae544f90469a888a817d2f2106d2fce9ffdb7175a25a542b443fdc98528b34c04b551b778e230f621c98445c1ba09c015a9085
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Description-en: Documentation of the libchemps2-3 package
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
handled with DMRG, and for one-dimensional active spaces up to 100
electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
about 28 orbitals.
.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
.
This is the common documentation package.
Description-md5: 5cdf20d2d8a1dd9c0307f9479bfb8665