deleted temporary files
merged with github
Contains the changed need to make the Response theory work
I have added the ability for DMRG to read two set of integrals for the same calculation. This option is only activated when response theory calculations are being performed. In the next commit i will hopefully add changes so that the hylleraas functional is minimized in one step.
modified some code so that the linear response is parallelized
Made several changes including
1. Added restart and fullrestart option to Response theory calculations
2. In response theory calculations when we are in the virtual section of orbitals we never need quanta with greater than 2 particle numbers
3. The adding of noise for response and compression codes is changed so that only left block operators are needed and overlap from the right block is not needed.
4. The screening for spin adapted code is not much more efficient, for very large orbitals spaces it can cause significant speed up.
Now random noise can be added to density matrix without any information about the environment. Also the response theory should be working for non singlet states.
The fciqmchelper is now working in multi-processor mode.
add makefile.
Added one test for mpspt2
Made sure all the tests are working. Needed to change the M for some of the tests so we get FCI energies rather than some intermediate M DMRG energy