How to Install and Uninstall libchemps2-dev Package on Ubuntu 16.04 LTS (Xenial Xerus)

Last updated: April 27,2024

1. Install "libchemps2-dev" package

In this section, we are going to explain the necessary steps to install libchemps2-dev on Ubuntu 16.04 LTS (Xenial Xerus)


    
        
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                sudo apt update
            
                    
    
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                sudo apt install
            
                        
                libchemps2-dev
            
                    
    
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2. Uninstall "libchemps2-dev" package

This guide let you learn how to uninstall libchemps2-dev on Ubuntu 16.04 LTS (Xenial Xerus):


    
        
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                sudo apt remove
            
                        
                libchemps2-dev
            
                    
    
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                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the libchemps2-dev package on Ubuntu 16.04 LTS (Xenial Xerus)

Package: libchemps2-dev
Priority: optional
Section: universe/libdevel
Installed-Size: 6291
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Architecture: amd64
Source: chemps2
Version: 1.6-3
Depends: libchemps2-1 (= 1.6-3)
Suggests: chemps2-doc
Filename: pool/universe/c/chemps2/libchemps2-dev_1.6-3_amd64.deb
Size: 5278480
MD5sum: 1aff020592dc57b1aac23ac4d482d2f1
SHA1: 83adcf0f66a43990fbf5af27e426b00217eb2344
SHA256: d05e09efaed6b855a8b4063e57a7b1b4f2eca5c1f96f3eb0f4a49e1bd2ef3da7
Description-en: C++ headers, static library, and symlink for libchemps2-1
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).
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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 package installs the C++ headers, static library, and symlink
for libchemps2.
Description-md5: 287102701abfe958a5628e0e299edc35
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Origin: Ubuntu