mirror of https://github.com/phonopy/phono3py.git
Picked updated files from rc
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@ -3,6 +3,10 @@
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Change Log
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==========
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Feb-21-2021: Version 1.22.2
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---------------------------
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- Fix PyPI source distribution package
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Feb-21-2021: Version 1.22.1
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---------------------------
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- ``phono3py`` command didn't work. This was fixed.
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@ -51,7 +51,7 @@ copyright = u'2015, Atsushi Togo'
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# The short X.Y version.
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version = '1.22'
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# The full version, including alpha/beta/rc tags.
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release = '1.22.1'
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release = '1.22.2'
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# The language for content autogenerated by Sphinx. Refer to documentation
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# for a list of supported languages.
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@ -32,4 +32,4 @@
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# ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
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# POSSIBILITY OF SUCH DAMAGE.
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__version__ = "1.22.1"
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__version__ = "1.22.2"
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@ -26,7 +26,7 @@ def test_Phono3pyIsotope(si_pbesol):
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nac_params=si_pbesol.nac_params)
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iso.run([23, 103])
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# print(iso.gamma[0])
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np.testing.assert_allclose(si_pbesol_iso, iso.gamma[0], atol=1e-4)
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np.testing.assert_allclose(si_pbesol_iso, iso.gamma[0], atol=2e-4)
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def test_Phono3pyIsotope_with_sigma(si_pbesol):
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@ -43,4 +43,4 @@ def test_Phono3pyIsotope_with_sigma(si_pbesol):
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nac_params=si_pbesol.nac_params)
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iso.run([23, 103])
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# print(iso.gamma[0])
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np.testing.assert_allclose(si_pbesol_iso_sigma, iso.gamma[0], atol=1e-4)
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np.testing.assert_allclose(si_pbesol_iso_sigma, iso.gamma[0], atol=2e-4)
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