How to Install and Uninstall aces3 Package on Ubuntu 16.04 LTS (Xenial Xerus)

Last updated: April 27,2024

1. Install "aces3" package

Please follow the instructions below to install aces3 on Ubuntu 16.04 LTS (Xenial Xerus)


    
        
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                sudo apt update
            
                    
    
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                sudo apt install
            
                        
                aces3
            
                    
    
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2. Uninstall "aces3" package

In this section, we are going to explain the necessary steps to uninstall aces3 on Ubuntu 16.04 LTS (Xenial Xerus):


    
        
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                sudo apt remove
            
                        
                aces3
            
                    
    
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                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the aces3 package on Ubuntu 16.04 LTS (Xenial Xerus)

Package: aces3
Priority: optional
Section: universe/science
Installed-Size: 124983
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Architecture: amd64
Version: 3.0.8-5build2
Depends: libblas3 | libblas.so.3, libc6 (>= 2.14), libgcc1 (>= 1:4.0), libgfortran3 (>= 4.6), liblapack3 | liblapack.so.3, libopenmpi1.10, libstdc++6 (>= 5.2), aces3-data (>= 3.0.8)
Filename: pool/universe/a/aces3/aces3_3.0.8-5build2_amd64.deb
Size: 39938956
MD5sum: dd5f606e9942c5dbc613ae115061693c
SHA1: 2da1985aeaa8c66f05510cfa9a0619f85f2cb780
SHA256: 1dc3ea1728e0c7d0e0bca369fa2668ec1c4e805f3dbcd8c93fd4a48cf935759b
Description-en: Advanced Concepts in Electronic Structure III
ACESIII is an electronic structure calculation program with a focus on
correlated methods. It is the parallel successor to ACESII, employing the
Super Instruction Assembly Language (SIAL) as parallelization framework.
Features include:
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Energies, analytic gradients and analytic hessians for the following methods:
* Restricted/unrestricted spin or restricted open-shell Hartree-Fock (HF)
* Second-order Moeller-Plesset pertubation theory (MP2)
.
Energies and analytic gradients for the following methods:
* Coupled cluster singles and doubles (CCSD)
.
Additionally, it can compute energies for the following methods:
* Coupled cluster singles and doubles with pertubative triples (CCSD(T))
* Quadratic configuration-interaction singles and doubles (QCISD)
.
Excited states can be calculated by the following methods:
* Qadratic configuration interaction singles and doubles
* Coupled cluster equation-of-motion (EOM-CC)
.
It also includes an internal coordinate geometry optimizer. If analytic
gradients are not available, numerical gradients via finite differences are
used.
Description-md5: 72e50bf3784ea75f68ec4b2159518043
Homepage: http://www.qtp.ufl.edu/ACES
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Origin: Ubuntu