How to Install and Uninstall chemps2-doc Package on Kali Linux

Last updated: November 07,2024

Deprecated! Installation of this package may no longer be supported.

1. Install "chemps2-doc" package

Learn how to install chemps2-doc on Kali Linux


    
        
            $
        

        
            
                sudo apt update
            
                    
    
    Copied


    
        
            $
        

        
            
                sudo apt install
            
                        
                chemps2-doc
            
                    
    
    Copied

2. Uninstall "chemps2-doc" package

This guide let you learn how to uninstall chemps2-doc on Kali Linux:


    
        
            $
        

        
            
                sudo apt remove
            
                        
                chemps2-doc
            
                    
    
    Copied


    
        
            $
        

        
            
                sudo apt autoclean && sudo apt autoremove
            
                    
    
    Copied

3. Information about the chemps2-doc package on Kali Linux

Package: chemps2-doc
Source: chemps2
Version: 1.8.12-1
Installed-Size: 1002
Maintainer: Debichem Team
Architecture: all
Size: 508316
SHA256: e30a548522d1838d704fc807b12bcfea1b170f36eee0448d863d93f24a13baa6
SHA1: 07ba2e668319d627ea43aa3fe498006de2f3518d
MD5sum: 72c6d46cd880ae5e77ed2d2271793452
Description: 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
Multi-Arch: foreign
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Section: doc
Priority: optional
Filename: pool/main/c/chemps2/chemps2-doc_1.8.12-1_all.deb