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Update tests for python3 compatibility
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sunqm committed May 9, 2018
1 parent 1663e5a commit 7096e12
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2 changes: 1 addition & 1 deletion NOTICE
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Expand Up @@ -32,7 +32,7 @@ Li Chen (University of Illinois)
Junhao Li (Cornell University)
Vijay Gopal Chilkuri (LPCQ)
Zhihao Cui (Caltech)
Bogdanov
Nikolay Bogdanov (Max Planck Institute)

Developers who contribute debug/test code which are removed or not included in
the source code
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2 changes: 1 addition & 1 deletion pyscf/mcscf/test/test_casci.py
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Expand Up @@ -93,7 +93,7 @@ def test_cas_natorb(self):
s = numpy.einsum('pi,pq,qj->ij', mo0[:,5:9], msym.get_ovlp(), mo1[:,5:9])
self.assertAlmostEqual(fci.addons.overlap(ci0, ci1, 4, 4, s), 1, 9)

self.assertAlmostEqual(abs(mo1-mo2).max(), 0, 9)
self.assertAlmostEqual(float(abs(mo1-mo2).max()), 0, 9)
self.assertAlmostEqual(ci1.ravel().dot(ci2.ravel()), 1, 9)

def test_multi_roots(self):
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