Failu krātuve :: Orbis/

priede.bf.lu.lv/ftp/pub/Uzzinjai/kimija/Orbis

 Name                      Last modified      Size  Description
 Parent Directory                               -   
 about.txt                 2017-05-24 02:53  705   Text, ASCII format
 adrese.txt                2017-05-24 02:54   67   Addresses, URL
 install_orbis-0.2.1.exe   2017-05-24 02:56   22M  Executable binary
 install_orbis-0.2.1.txt   2017-05-24 03:05   45   Text, ASCII format
 orbis-0.2.1.7z            2017-05-24 03:34   22M  Compressed archive
 Orbis-master.zip          2017-05-24 03:10  877K  Compressed archive

 Orbis is a piece of Python software I wrote for performing Simple Huckel
 Molecular Orbital analysis calculations. Orbis is designed to be an easy
 to use method for estimating a variety of molecular orbital properties
 including:

    molecular orbital energies (SHMO eigenvalues and eigenvectors)
    pi bond orders
    net charges per atom
    atom-atom polarizabilities
    atom-bond polarizabilities

Orbis comes pre-loaded with a number of different atom and bond types but also
allows for custom atom and bond types to be created. A simple sketchpad allows
you to draw molecules and watch the eigenvalues, eigenvectors, energy level
diagrams, molecular orbitals and more be calculated on the fly.