Non-particle number conserving calculations

sanshar / Block

Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.

GNU General Public License v3.0

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Non-particle number conserving calculations #6

Closed zhengbx closed 10 years ago

zhengbx commented 10 years ago

I noticed the state specific test will fail in both your code and my merged code. So I assume the merge didn't break the code.

The output is

testing state specific excited states... PASSED .... PASSED .... PASSED .... PASSED .... PASSED .... -5.41250077836 - -6.40967757484 > 1e-06 FAILED .... -5.41250066326 - -6.40967757484 > 1e-06 FAILED .... -5.28833492183 - -6.40967757484 > 1e-06 FAILED ....