updates and cleanup

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24979 85dd5168-0e29-45a6-bdf9-2122c44e486f
HvD: A few minor changes to enable fully spin-polarized TDDFT calculations.


git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24980 85dd5168-0e29-45a6-bdf9-2122c44e486f
fixed MPI_INCLUDE definition...EJB

git-svn-id: https://svn.pnl.gov/svn/nwchem/trunk@24981 85dd5168-0e29-45a6-bdf9-2122c44e486f
add my scripts for generating benchmark input files
Create README.md
Merge branch 'pnnl' of bitbucket.org:jeffscience/nwchem into pnnl
Merge branch 'pnnl'