From cc3fc1783735b9d20f0ec73c97c839040ae18691 Mon Sep 17 00:00:00 2001 From: astralm0nke Date: Tue, 16 Apr 2024 14:00:26 -0400 Subject: [PATCH] Add .DS_Store to .gitignore and use CuPy for eigsh mode for solve fxn in hamiltonian.py --- .gitignore | 2 +- qmsolve/hamiltonian.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/.gitignore b/.gitignore index 715b946..8628687 100644 --- a/.gitignore +++ b/.gitignore @@ -4,7 +4,7 @@ __pycache__/ *.py[cod] *$py.class - +**/.DS_Store # C extensions *.so diff --git a/qmsolve/hamiltonian.py b/qmsolve/hamiltonian.py index bb39b42..00b3e58 100644 --- a/qmsolve/hamiltonian.py +++ b/qmsolve/hamiltonian.py @@ -85,7 +85,7 @@ def solve(self, max_states: int, method: str = 'eigsh', verbose = False, lobpcg_ t0 = time.time() if method == 'eigsh': - from scipy.sparse.linalg import eigsh + from cupyx.scipy.sparse.linalg import eigsh # Note: uses shift-invert trick for stability finding low-lying states # Ref: https://docs.scipy.org/doc/scipy/reference/tutorial/arpack.html#shift-invert-mode