How to Install and Uninstall ergo-data Package on Ubuntu 20.10 (Groovy Gorilla)

Last updated: June 02,2024

1. Install "ergo-data" package

This guide covers the steps necessary to install ergo-data on Ubuntu 20.10 (Groovy Gorilla)


    
        
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                sudo apt update
            
                    
    
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            $
        

        
            
                sudo apt install
            
                        
                ergo-data
            
                    
    
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2. Uninstall "ergo-data" package

This guide let you learn how to uninstall ergo-data on Ubuntu 20.10 (Groovy Gorilla):


    
        
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                sudo apt remove
            
                        
                ergo-data
            
                    
    
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            $
        

        
            
                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the ergo-data package on Ubuntu 20.10 (Groovy Gorilla)

Package: ergo-data
Architecture: all
Version: 3.8-1build1
Priority: optional
Section: universe/science
Source: ergo
Origin: Ubuntu
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Installed-Size: 7210
Breaks: ergo (<< 3.7)
Replaces: ergo (<< 3.7)
Filename: pool/universe/e/ergo/ergo-data_3.8-1build1_all.deb
Size: 556928
MD5sum: e433c0a2e7d7f0ffe240aac68716d538
SHA1: 3574250e08999bd426581fee72145ee15148283a
SHA256: d4a4ec2e59a3f85445e6cc532240927bfa2c42f9fd8633b9e54e4f07f7f0f526
SHA512: f9b2ce86187ecf49ce27c1dc22cface9ab45acf234e123b90cd2dc412a9f22577a680c4f7f14f586f606e729595fe1407268d8232680cf26cf193b5975759b70
Homepage: http://ergoscf.org/
Description-en: Quantum chemistry program for large-scale calculations - data package
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)
.
This package contains data for ergo.
Description-md5: 2420727f20ad9f055d60b119e916f808