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Removed more unnecessary lines
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mitra054 committed Jul 29, 2024
1 parent d4564ff commit 6f6416f
Showing 1 changed file with 0 additions and 3 deletions.
3 changes: 0 additions & 3 deletions exploratory/citools/lasci_ominus1.py
Original file line number Diff line number Diff line change
Expand Up @@ -23,7 +23,6 @@
from itertools import product

verbose_lbjfgs = [-1,-1,-1,0,50,99,100,101,101,101]
GLOBAL_MAX_CYCLE = None
def _n_m_s (dm1s, dm2s, _print_fn=print):
neleca = np.trace (dm1s[0])
nelecb = np.trace (dm1s[1])
Expand All @@ -35,8 +34,6 @@ def _n_m_s (dm1s, dm2s, _print_fn=print):
def kernel (fci, h1, h2, norb, nelec, norb_f=None, ci0_f=None,
tol=1e-8, gtol=1e-4, max_cycle=15000,
orbsym=None, wfnsym=None, ecore=0, **kwargs):
if max_cycle is None:
max_cycle = GLOBAL_MAX_CYCLE if GLOBAL_MAX_CYCLE is not None else 15000
if norb_f is None: norb_f = getattr (fci, 'norb_f', [norb])
if ci0_f is None: ci0_f = fci.get_init_guess (norb, nelec, norb_f, h1, h2)
verbose = kwargs.get ('verbose', getattr (fci, 'verbose', 0))
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