How to Install and Uninstall chemps2-doc Package on Ubuntu 16.04 LTS (Xenial Xerus)

Last updated: May 11,2024

1. Install "chemps2-doc" package

Here is a brief guide to show you how to install chemps2-doc on Ubuntu 16.04 LTS (Xenial Xerus)


    
        
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                sudo apt update
            
                    
    
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            $
        

        
            
                sudo apt install
            
                        
                chemps2-doc
            
                    
    
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2. Uninstall "chemps2-doc" package

Here is a brief guide to show you how to uninstall chemps2-doc on Ubuntu 16.04 LTS (Xenial Xerus):


    
        
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                sudo apt remove
            
                        
                chemps2-doc
            
                    
    
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                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the chemps2-doc package on Ubuntu 16.04 LTS (Xenial Xerus)

Package: chemps2-doc
Priority: optional
Section: universe/doc
Installed-Size: 431
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Architecture: all
Source: chemps2
Version: 1.6-3
Filename: pool/universe/c/chemps2/chemps2-doc_1.6-3_all.deb
Size: 102148
MD5sum: 3d9c908eb285cf4a835fa11b19da8747
SHA1: e6161141e8aabf9e06c345d338acb02d45bdf702
SHA256: fa12ce4208ef93621b0863afa92f3a357cd755ad34514468f1e159d48072e328
Description-en: Documentation of the libchemps2-1 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 method allows one to obtain
numerical accuracy in active spaces beyond the capabilities of
full configuration interaction (FCI).
.
For an input Hamiltonian and targeted symmetry sector, the library
performs successive DMRG sweeps according to a user-defined
convergence scheme. As output, the library returns the minimal
encountered energy as well as the second order reduced density
matrix (2-RDM) of the active space. With the latter, various
molecular properties can be calculated, as well as the gradient and
Hessian for orbital rotations or nuclear displacements. In addition,
several correlation functions can be obtained to investigate the
electronic structure in the active space.
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This is the common documentation package.
Description-md5: 2ee7c8a68c2c3a1ed3cfb415b0d61f4b
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Origin: Ubuntu