How to Install and Uninstall ergo Package on Ubuntu 16.04 LTS (Xenial Xerus)

Last updated: December 24,2024

1. Install "ergo" package

Please follow the guidelines below to install ergo on Ubuntu 16.04 LTS (Xenial Xerus)


    
        
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                sudo apt update
            
                    
    
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                sudo apt install
            
                        
                ergo
            
                    
    
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2. Uninstall "ergo" package

This tutorial shows how to uninstall ergo on Ubuntu 16.04 LTS (Xenial Xerus):


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

Package: ergo
Priority: optional
Section: universe/science
Installed-Size: 7893
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Architecture: amd64
Version: 3.4.0-2
Depends: libatlas3-base, libc6 (>= 2.14), libgcc1 (>= 1:4.1.1), libgomp1 (>= 4.9), liblapack3 | liblapack.so.3, libstdc++6 (>= 5.2)
Filename: pool/universe/e/ergo/ergo_3.4.0-2_amd64.deb
Size: 1234852
MD5sum: 5aaf9af0e6292035f09d3e890d45cc2d
SHA1: 05ede4a42959de258004d1cb63c3c74d3ab7deea
SHA256: 2a8de4261c7534eaefebff0a6cfcd7b4c2a26dcb8959197452e21669b0ef5e84
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.
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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)
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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
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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
Homepage: http://ergoscf.org/
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Origin: Ubuntu