Jacobi-Davidson diagonalizer for full CI computation.
This should have the following parts:
- Output file generated from Psi4, and a Python script that parses it into a 2-D (large) matrix
- Some code to read the matrix in.
- Some other code that diagonalizes the sucker, ala Jacobi-Davidson
Run from terminal as
$> ./parse.py -i [outputfrompsi4].dat -b [#basis fcns]
Right now, the matrix is stored in memory, but I wasn't sure how to write it to a file.