Fixes bug in initialisation of ADC guess vectors #121
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dgasmith
approved these changes
Mar 5, 2022
| @@ -57,6 +57,7 @@ def davidson(matrix, guesses, diag, maxiter=None, sort_via_abs=True, tol=1e-10, | |||
| de = np.linalg.norm(theta[:k] - theta_old) | |||
| if de < tol: | |||
| conv = True | |||
| b = np.dot(b, alpha) | |||
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Description
When initialising the guess vectors for ADC, an identity matrix in the full space was briefly initialised, which is O(N^6) and O(N^8) in memory for IP/EA- and EE-ADC(2), respectively (!). This oversight is fine for these small examples but is very bad if people wanted to use the code as a reference for larger systems!
What are your new additions? Please provide a brief list.
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