How to Install and Uninstall aces3 Package on Kali Linux

Last updated: April 27,2024

1. Install "aces3" package

Here is a brief guide to show you how to install aces3 on Kali Linux


    
        
            $
        

        
            
                sudo apt update
            
                    
    
    Copied


    
        
            $
        

        
            
                sudo apt install
            
                        
                aces3
            
                    
    
    Copied

2. Uninstall "aces3" package

Please follow the steps below to uninstall aces3 on Kali Linux:


    
        
            $
        

        
            
                sudo apt remove
            
                        
                aces3
            
                    
    
    Copied


    
        
            $
        

        
            
                sudo apt autoclean && sudo apt autoremove
            
                    
    
    Copied

3. Information about the aces3 package on Kali Linux

Package: aces3
Version: 3.0.8-9
Installed-Size: 125184
Maintainer: Debichem Team
Architecture: amd64
Depends: libblas3 | libblas.so.3, libc6 (>= 2.34), libgcc-s1 (>= 4.0), libgfortran5 (>= 8), liblapack3 | liblapack.so.3, libopenmpi3 (>= 4.1.4), libstdc++6 (>= 5.2), aces3-data (>= 3.0.8)
Size: 40292212
SHA256: a2d44f2e103fbe7cb18f5eb2c51bfe81409814a2e8ecad9307fe5c7a6cdbbc38
SHA1: a66abc3fddd6c1975ad98c26ea7094ccefe44796
MD5sum: bab3b034e9466587a7356c0417ae8f3e
Description: 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:
.
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:
Homepage: https://www.qtp.ufl.edu/ACES
Tag: role::program
Section: science
Priority: optional
Filename: pool/main/a/aces3/aces3_3.0.8-9_amd64.deb