forked from pool/python-ase
Dirk Mueller
f0bdb19295
- Add ase-mr3400-numpy2.patch gl#ase/ase#3400 OBS-URL: https://build.opensuse.org/package/show/devel:languages:python:numeric/python-ase?expand=0&rev=9
27 lines
993 B
Diff
27 lines
993 B
Diff
From 5e733253d9e791ed1568076ede93a983f27979f6 Mon Sep 17 00:00:00 2001
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From: "Adam J. Jackson" <a.j.jackson@physics.org>
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Date: Tue, 30 Nov 2021 09:51:47 +0000
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Subject: [PATCH] TST: Vibration slab test should check for movement in ANY
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direction
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It is possible for a perfectly good eigenvector to be zero in some
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Cartesian direction; this was encountered in #976 and appears to be
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architecture-dependent.
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---
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ase/test/vibrations/test_vib.py | 2 +-
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1 file changed, 1 insertion(+), 1 deletion(-)
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diff --git a/ase/test/vibrations/test_vib.py b/ase/test/vibrations/test_vib.py
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index fe28ff13e5..7786a47aec 100644
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--- a/ase/test/vibrations/test_vib.py
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+++ b/ase/test/vibrations/test_vib.py
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@@ -524,4 +524,4 @@ class TestSlab:
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assert_array_almost_equal(vibs.get_mode(i)[0], [0., 0., 0.])
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# The N atoms should have finite displacement
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- assert np.all(vibs.get_mode(i)[-2:, :])
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+ assert np.all(np.any(vibs.get_mode(i)[-2:, :], axis=1))
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--
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GitLab
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