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

Last updated: November 26,2024

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

1. Install "libchemps2-dev" package

Please follow the guidance below to install libchemps2-dev on Kali Linux


    
        
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                sudo apt update
            
                    
    
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            $
        

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

Here is a brief guide to show you how to uninstall libchemps2-dev on Kali Linux:


    
        
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                sudo apt remove
            
                        
                libchemps2-dev
            
                    
    
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            $
        

        
            
                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the libchemps2-dev package on Kali Linux

Package: libchemps2-dev
Source: chemps2
Version: 1.8.12-1
Installed-Size: 489
Maintainer: Debichem Team
Architecture: amd64
Depends: libchemps2-3 (= 1.8.12-1)
Suggests: chemps2-doc
Size: 66976
SHA256: 5ad62a5132e77d562af969939d7620f320ca348ff30a3d1e59ac3fc61468b2c6
SHA1: f374e6326e99ec0d1bc751bae41c5c6e8ec2e376
MD5sum: d6f2c1567207738d3051fe4bf7064fb1
Description: C++ headers, static library, and symlink for libchemps2-3
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.
.
This package installs the C++ headers, static library, and symlink
for libchemps2.
Description-md5: 06372b7130b99a8212112dae1d27c8ae
Homepage: http://sebwouters.github.io/CheMPS2/index.html
Tag: devel::library, role::devel-lib
Section: libdevel
Priority: optional
Filename: pool/main/c/chemps2/libchemps2-dev_1.8.12-1_amd64.deb