From 58ab5b675d8269e74cac69b973eb0f54a1124b17 Mon Sep 17 00:00:00 2001 From: Qiming Sun Date: Thu, 20 Jun 2024 09:42:47 -0700 Subject: [PATCH] clean up --- pyscf/lib/linalg_helper.py | 5 ----- 1 file changed, 5 deletions(-) diff --git a/pyscf/lib/linalg_helper.py b/pyscf/lib/linalg_helper.py index e578b4d51a..a9eec17a17 100644 --- a/pyscf/lib/linalg_helper.py +++ b/pyscf/lib/linalg_helper.py @@ -33,13 +33,8 @@ SAFE_EIGH_LINDEP = getattr(__config__, 'lib_linalg_helper_safe_eigh_lindep', 1e-15) DAVIDSON_LINDEP = getattr(__config__, 'lib_linalg_helper_davidson_lindep', 1e-14) -<<<<<<< HEAD DSOLVE_LINDEP = getattr(__config__, 'lib_linalg_helper_dsolve_lindep', 1e-13) -MAX_MEMORY = getattr(__config__, 'lib_linalg_helper_davidson_max_memory', 2000) # 2GB -======= -DSOLVE_LINDEP = getattr(__config__, 'lib_linalg_helper_dsolve_lindep', 1e-15) MAX_MEMORY = getattr(__config__, 'lib_linalg_helper_davidson_max_memory', 4000) # 4GB ->>>>>>> Update krylov solver # sort by similarity has problem which flips the ordering of eigenvalues when # the initial guess is closed to excited state. In this situation, function