How to Install and Uninstall libchemps2-3 Package on Kali Linux

Last updated: May 17,2024

Deprecated! Installation of this package may no longer be supported.

1. Install "libchemps2-3" package

Please follow the steps below to install libchemps2-3 on Kali Linux


    
        
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                sudo apt update
            
                    
    
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            $
        

        
            
                sudo apt install
            
                        
                libchemps2-3
            
                    
    
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2. Uninstall "libchemps2-3" package

This is a short guide on how to uninstall libchemps2-3 on Kali Linux:


    
        
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                sudo apt remove
            
                        
                libchemps2-3
            
                    
    
    Copied


    
        
            $
        

        
            
                sudo apt autoclean && sudo apt autoremove
            
                    
    
    Copied

3. Information about the libchemps2-3 package on Kali Linux

Package: libchemps2-3
Source: chemps2
Version: 1.8.12-1
Installed-Size: 1514
Maintainer: Debichem Team
Architecture: amd64
Depends: libblas3 | libblas.so.3, libc6 (>= 2.33), libgcc-s1 (>= 3.3.1), libgomp1 (>= 6), libhdf5-103-1, liblapack3 | liblapack.so.3, libstdc++6 (>= 5.2)
Suggests: chemps2-doc
Size: 504360
SHA256: 393f32bca2d898e99febc4425a92280ff7e48e3268025d7975b77c8cba436b6d
SHA1: f8cd0a0659260f28db4259ecb3e8f8a558258c29
MD5sum: f569004eebd55972ce7780f826c1649e
Description: Spin-adapted DMRG for ab initio quantum chemistry
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
handled with DMRG, and for one-dimensional active spaces up to 100
electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
about 28 orbitals.
.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
Description-md5: babf9de114b24a596b7c1f41ea1deb23
Multi-Arch: same
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Tag: role::shared-lib
Section: libs
Priority: optional
Filename: pool/main/c/chemps2/libchemps2-3_1.8.12-1_amd64.deb