How to Install and Uninstall ergo-data Package on Kali Linux

Last updated: May 16,2024

1. Install "ergo-data" package

Please follow the guidance below to install ergo-data on Kali Linux


    
        
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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

Learn how to uninstall ergo-data on Kali Linux:


    
        
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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 Kali Linux

Package: ergo-data
Source: ergo
Version: 3.8-1
Installed-Size: 7210
Maintainer: Debichem Team
Architecture: all
Replaces: ergo (<< 3.7)
Breaks: ergo (<< 3.7)
Size: 557380
SHA256: 8b671b7ff025f1907c664f3592d1f598599c3559a76a2f522862844a5c56f8fe
SHA1: b6e14383d2cfb2a7eff2a02b0dd59dd55488fe3b
MD5sum: 3c08a3a0a22fd1bd158e1233c28ea819
Description: 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:
Homepage: http://ergoscf.org/
Section: science
Priority: optional
Filename: pool/main/e/ergo/ergo-data_3.8-1_all.deb