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

Last updated: December 24,2024

1. Install "mpqc" package

This guide covers the steps necessary to install mpqc on Ubuntu 16.04 LTS (Xenial Xerus)


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

Please follow the guidelines below to uninstall mpqc on Ubuntu 16.04 LTS (Xenial Xerus):


    
        
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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 Ubuntu 16.04 LTS (Xenial Xerus)

Package: mpqc
Priority: optional
Section: universe/science
Installed-Size: 286
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Architecture: amd64
Version: 2.3.1-16ubuntu5
Replaces: mpqc-openmpi (<< 2.3.1-7)
Depends: libsc-data (= 2.3.1-16ubuntu5), mpi-default-bin, libc6 (>= 2.14), libgcc1 (>= 1:3.0), libopenmpi1.10, libsc7v5, libstdc++6 (>= 5.2)
Suggests: mpqc-support
Breaks: mpqc-openmpi (<< 2.3.1-7)
Filename: pool/universe/m/mpqc/mpqc_2.3.1-16ubuntu5_amd64.deb
Size: 74740
MD5sum: 8c450afef69cd0d6cbea47da895e9151
SHA1: 37f01fde91b5ecf5912130b0a3ce7bcdebe7a0ac
SHA256: 3323bd17b1645dc80257c37297183754747ecd7a1a841ba346365b818d54713e
Description-en: 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 pertubation 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: 71e248fa99f9d22603b0b838e6b9d8bc
Homepage: http://www.mpqc.org
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Origin: Ubuntu