Orbitals Package Readme file.
D.A. Harrington, Dec 2014.
dharr@uvic.ca
http://web.uvic.ca/~dharr

The Orbitals package evaluates, plots and calculates atomic orbitals, overlap integrals, and atomic four-electron integrals for hydrogenic or Slater-type orbitals.

This 2014 version updates the help system to the new help database format (*.help), and makes improvements in the overlap routine and the examples. The routine "S" is removed, but can be reinstated by following the instructions below. 

To use the Orbitals Package:
(1) Make a directory for the library and help database files, e.g., "C:/MapleLibs"
(2) Copy the two files Orbitals.help and Orbitals.mla to this directory.
(3) At the beginning of your worksheet, add a line such as
       libname:="C:/MapleLibs",libname;
(4) Make the routines and help pages available by
       with(Orbitals);

Notes:

Since libname usually points already to the current directory (for more recent versions of Maple), you can just copy these files to the same directory as the worksheet you are running. The directory with the library and help files can be permanently added to libname in the Maple initialization file by following the instructions in ?maple.

The source code is provided in worksheet "Orbitals Package Source Code.mw", but is not needed to use the package. 

These routines were generated with Maple 18.02. The .help database will not work with earlier versions, but the package code in Orbitals.mla should work with other recent versions.

To reinstate the routine "S", edit the source code to export S, and remove it from the local statement.

Legal Notice:  D.A. Harrington, 2014. Maplesoft and Maple are trademarks of Waterloo Maple Inc. Neither Maplesoft nor the authors are responsible for any errors contained within and are not liable for any damages resulting from the use of this material.  This application is intended for non-commercial, non-profit use only. Contact the authors for permission if you wish to use this application in for-profit activities. 