How to Install and Uninstall ergo Package on Ubuntu 21.04 (Hirsute Hippo)

Last updated: December 25,2024

1. Install "ergo" package

Please follow the guidelines below to install ergo on Ubuntu 21.04 (Hirsute Hippo)


    
        
            $
        

        
            
                sudo apt update
            
                    
    
    Copied


    
        
            $
        

        
            
                sudo apt install
            
                        
                ergo
            
                    
    
    Copied

2. Uninstall "ergo" package

This guide covers the steps necessary to uninstall ergo on Ubuntu 21.04 (Hirsute Hippo):


    
        
            $
        

        
            
                sudo apt remove
            
                        
                ergo
            
                    
    
    Copied


    
        
            $
        

        
            
                sudo apt autoclean && sudo apt autoremove
            
                    
    
    Copied

3. Information about the ergo package on Ubuntu 21.04 (Hirsute Hippo)

Package: ergo
Architecture: amd64
Version: 3.8-1build1
Priority: optional
Section: universe/science
Origin: Ubuntu
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Installed-Size: 2484
Depends: ergo-data (>= 3.7), libatlas3-base, libc6 (>= 2.29), libgcc-s1 (>= 3.0), libgomp1 (>= 6), liblapack3 | liblapack.so.3, libstdc++6 (>= 9)
Filename: pool/universe/e/ergo/ergo_3.8-1build1_amd64.deb
Size: 838080
MD5sum: b792bf64880de0ec4af74bf07076b251
SHA1: 563c664b83b9867180cd81519f4a4b3d72882457
SHA256: a10c0385b8b631e64bd72fc895c652fec6f6f709211072961e2a752ccc526822
SHA512: e2a7434443e53e66b5a11ac9e9cba04daa8687ed405a6f0e5b3db55d29c9543790ed8d518a50003b9d96bdfba90b1c6c73d7d3950630bdfe237678b0c8a553f6
Homepage: http://ergoscf.org/
Description-en: Quantum chemistry program for large-scale calculations
ErgoSCF is a quantum chemistry program for large-scale self-consistent field
calculations. It employs modern linear scaling techniques like fast multipole
methods, hierarchic sparse matrix algebra, density matrix purification, and
efficient integral screening. Linear scaling is achieved not only in terms of
CPU usage but also memory utilization. It uses Gaussian basis sets.
.
It can compute single-point energies for the following methods:
* Restricted and unrestricted Hartree-Fock (HF) theory
* Restricted and unrestricted Kohn-Sham density functional theory (DFT)
* Full Configuration-Interaction (FCI)
.
The following Exchange-Correlational (XC) density functionals are included:
* Local Density Approximation (LDA)
* Gradient-corrected (GGA) XC functionals BLYP, BP86, PW91 and PBE
* Hybrid XC functionals B3LYP, BHandHLYP, PBE0 and CAMB3LYP
.
Further features include:
* Linear response calculations (polarizabilities and excitation energies) for
restricted reference densities
* External electric fields
* Electron dynamics via Time-Dependent Hartree-Fock (TDHF)
Description-md5: fb8ad819237b1820e4f6294e3fd6b152