How to Install and Uninstall mpqc3 Package on Ubuntu 16.04 LTS (Xenial Xerus)

Last updated: November 26,2024

1. Install "mpqc3" package

Please follow the guidance below to install mpqc3 on Ubuntu 16.04 LTS (Xenial Xerus)


    
        
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                sudo apt update
            
                    
    
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            $
        

        
            
                sudo apt install
            
                        
                mpqc3
            
                    
    
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2. Uninstall "mpqc3" package

Here is a brief guide to show you how to uninstall mpqc3 on Ubuntu 16.04 LTS (Xenial Xerus):


    
        
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                sudo apt remove
            
                        
                mpqc3
            
                    
    
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            $
        

        
            
                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the mpqc3 package on Ubuntu 16.04 LTS (Xenial Xerus)

Package: mpqc3
Priority: optional
Section: universe/science
Installed-Size: 17216
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Architecture: amd64
Version: 0.0~git20160216-1
Depends: mpi-default-bin, mpqc3-data, libblas3 | libblas.so.3, libc6 (>= 2.14), libgcc1 (>= 1:4.0), libgfortran3 (>= 4.6), libint2-2, liblapack3 | liblapack.so.3, libopenmpi1.10, libstdc++6 (>= 5.2)
Filename: pool/universe/m/mpqc3/mpqc3_0.0~git20160216-1_amd64.deb
Size: 4295630
MD5sum: a71dfab62b51f30cad901eb1bd2f01de
SHA1: 5b27ce04353c0df5f4e520ee3fc2c94797558553
SHA256: 259faa61aa4aaf3d08a80a57e55bcdf675f2fc3024d382f78c462ad37f6dd9c6
Description-en: Massively Parallel Quantum Chemistry Program
MPQC3 is an ab-inito quantum chemistry program. It is especially designed to
compute molecules in an explicitly-correlated fashion.
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It can compute energies and gradients for the following methods:
* Hartree-Fock (HF)
* Density Functional Theory (DFT)
* Second-order Moeller-Plesset pertubation theory (MP2)
.
Additionally, it can compute energies for the following methods:
* Local MP2 (LMP2)
* Explicitly-correlated density-fitted MP2 (DF-MP2-F12)
* Explicitly-correlated density-fitted coupled-cluster singles doubles
(DF-CCSD-F12)
* Explicitly-correlated density-fitted coupled-cluster singles doubles with
perturbative triples (DF-CCSD(T)-F12)
.
It also includes an internal coordinate geometry optimizer.
Description-md5: 613e47617f463f0c8e7c935acb76e336
Homepage: http://www.mpqc.org
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Origin: Ubuntu