added rhf and uhf
reorgnized the structure
more sturcture changes
added tests for uhf
added basis files
uhf working
cleaned the tests
some changes in defaultmain
more changes in defualtmain
field used for rhf and uhf
new convergence test from slides
modified density contributions in solver...all tests pass
rhf P is standard...uhf P averaged
DIIS method implemented
optimized hermiteintegrals, overloaded for bomd
energy calc runs with optimized R, gradient with old R
added md as an app
mpi works, but fast tests fail with many nodes
added some new files
added configSampler