inital commit setting up main README

Author: amjames

README.md

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+# Underdevelopment
+
+###TODO:
+ - [  ] add links
+ - [  ] add project inputs
+ - [  ] add project readme's
+ - [  ] expand git intro
+
+# C++ Programming Tutorial in Chemistry
+This tutorial is intended to touch on many, but certainly not all, of the fundamentals of C++ programming with an emphasis on quantum chemistry.  Although I hope this section will get you started, it is not a substitute for a more complete reference manual.  For more C++ language details, you may find the standard text by Josuttis [buy it](http://www.amazon.com/C-Standard-Library-Tutorial-Reference/dp/0201379260) useful or, for VT users, get it [on-line from the campus library](http://proquest.safaribooksonline.com/0201379260) or a decent on-line tutorial such as [this one](http://www.cplusplus.com/doc/tutorial/) or [this one](http://www.cprogramming.com/tutorial.html). 
+
+If you are new to programming, one way to approach this tutorial is to read through the subsections of "The Fundamentals" list first, then proceed with Project #1, using the earlier material as a reference. If you are already experienced with programming, you may be able to start immediately with Project #1. If you already have experience with electronic structure theory programs, then you may be ready for the Hartee-Fock programming project or even more advanced topics. 
+
+# Getting Started
+This repository is organized into several projects, each with its own directory.
+In each one you will find a `README.md` file like this one with instructions,
+and output for you to check your implementation against.
+These projects will also require some input files that will be discussed 
+in each project as they become relevant. 
+These input files can be found in the `inputs` directory. 
+Within `input` there are directories for several different molecule/basis-set
+combinations where you will find integrals, molecular geometries and other files to use as input to your programs.
+
+The wiki for this repository has some discussion of useful topics. 
+Reading over the topics in the [wiki](addlink) is a good way to familiarize yourself with concepts you will use to complete these projects.
+The Fundamentals list below has links to pages within the wiki.
+
+To begin work on the projects you can create a `clone` of this repository. 
+First navigate to the directory where you would like to keep your programming projects. Then create the clone by this command
+```shell
+git clone [email protected]:CrawfordGroup/ProgrammingProjects.git
+```
+Now you should see a directory called `ProgrammingProjects` inside you will find all of the files that you can see on github.
+
+# The Fundamentals (Updated: 29 August 2014) 
+ - An initial example
+ - What is a "Compilation" 
+ - Code Comments 
+ - Data Types and Variables
+ - Operators
+ - Control Statements 
+ - Input/Output
+ - Functions 
+ - Variable Scope and Reference Types
+ - Memory Allocation 
+ - Classes and Objects 
+ - Overloading and Templates
+
+# Quantum Chemistry Programming Projects 
+ - Project #1: Molecular Geometry/rotational constant analysis.
+ - Project #2: Harmonic Vibrational analysis
+ - Project #3: The Hartree-Fock self-consistent field (SCF) procedure.
+ - Project #4: The second-order Moller-Plesset perturbation (MP2) energy.
+ - Project #5: The coupled cluster singles and doubles (CCSD) energy.
+ - Project #6: A perturbative triples correction to CCSD [CCSD(T)].
+ - Project #7: Connecting your code to PSI4.
+ - Project #8: DIIS extrapolation for the SCF procedure.
+ - Project #9: Using symmetry in the SCF procedure.
+ - Project #10: DIIS extrapolation for solving the CC amplitude equations.
+ - Project #11: An "out of core" SCF procedure.
+ - Project #12: Excited Electronic States: CIS and TDHF/RPA
+ - Project #13: the Davidson-Liu Algorithm: CIS
+ - Project #14: Excited Electronic States: EOM-CCSD (*In Preparation*)
+