Merge pull request sanshar#24 from sunqm/master

Add documents and exampels for: DMRG-NEVPT2, DMRG-CASSCF via PySCF

Merge branch 'master' of http://github.com/sanshar/Block into github

fix a bug which causes the accumulation of coreenergies in dmrgscf

Implemented the Fiedler vector as default, as well as inside the gene…

…tic algorithm. Updated the manual and added various debugging issues brought up in the last six months. 2013/07/09.

Version 0.9.6. Removes an error when using an intel compiler

Updated bug in sweep.C and there were some changes to mpi calls from …

…Sanshar

updates to genetic algorithm and davidson solver

Ready-version for molpro integration including bug fixes, updated ene…

…rgy extrapolation, and improved integration with the orbital-ordering genetic algorithm routine. The current version also includes dinf_h calculations as well

Version include better integration with molpro, rewritten angular mom…

…entum library, energy extrapolation with respect to discarded weights and optional openmp

Includes modifications from v0.9 such that it can run with mpich2