How to Install and Uninstall mpqc Package on Kali Linux

Last updated: May 15,2024

1. Install "mpqc" package

This tutorial shows how to install mpqc on Kali Linux


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

This tutorial shows how to uninstall mpqc on Kali Linux:


    
        
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                sudo apt remove
            
                        
                mpqc
            
                    
    
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                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the mpqc package on Kali Linux

Package: mpqc
Version: 2.3.1-22
Installed-Size: 317
Maintainer: Debichem Team
Architecture: amd64
Depends: libsc-data (= 2.3.1-22), mpi-default-bin, libc6 (>= 2.34), libgcc-s1 (>= 3.0), libopenmpi3 (>= 4.1.4), libsc7v5 (>= 2.3.1), libstdc++6 (>= 5.2)
Suggests: mpqc-support
Size: 82580
SHA256: 5eaf3caefd0725bf915b43c9e672c7377fb6ea02dc6bcad84e6076d403f0b755
SHA1: cee074e13c29809b46cb49264ffe6273298ca5ae
MD5sum: d9f8019e49c61bf9056807ec0a10621a
Description: Massively Parallel Quantum Chemistry Program
MPQC is an ab-inito quantum chemistry program. It is especially designed
to compute molecules in a highly parallelized fashion.
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It can compute energies and gradients for the following methods:
* Closed shell and general restricted open shell Hartree-Fock (HF)
* Density Functional Theory (DFT)
* Closed shell second-order Moeller-Plesset perturbation theory (MP2)
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Additionally, it can compute energies for the following methods:
* Open shell MP2 and closed shell explicitly correlated MP2 theory (MP2-R12)
* Second order open shell pertubation theory (OPT2[2])
* Z-averaged pertubation theory (ZAPT2)
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It also includes an internal coordinate geometry optimizer.
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MPQC is built upon the Scientific Computing Toolkit (SC).
Description-md5:
Homepage: http://www.mpqc.org
Tag: field::chemistry, field::physics, implemented-in::c++,
interface::commandline, interface::graphical, interface::x11,
role::program, scope::utility, uitoolkit::gtk, x11::application
Section: science
Priority: optional
Filename: pool/main/m/mpqc/mpqc_2.3.1-22_amd64.deb