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https://github.com/triqs/dft_tools
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To make it work one has to create a symlink in 'dft/converters/plovasp' pointing to the built library 'atm.so'. Also, one has to use 'from <modulename> import <function>' inside the test itself to avoid problems with module name substitutions.
39 lines
960 B
Python
39 lines
960 B
Python
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import os
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import numpy as np
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from pytriqs.applications.dft.converters.plovasp.atm import dos_tetra_weights_3d
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import mytest
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################################################################################
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#
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# TestProjectorShell
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#
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################################################################################
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class TestProjectorShell(mytest.MyTestCase):
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"""
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Class:
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ProjectorShell(sh_pars, proj_raw)
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Scenarios:
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- **if** a correct input is given **compare** output arrays
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"""
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# Scenario 1
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def test_example(self):
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eigs = np.array([-1.5, -1.309017, -1.0, -0.5])
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en = -0.55
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itt = np.array([[1, 0, 1, 2, 3]]).T
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res = dos_tetra_weights_3d(eigs, en, itt)[:, 0]
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r_should = np.zeros(4)
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r_should[0] = 0.000309016992226;
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r_should[1] = 0.000381966005939;
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r_should[2] = 0.000618033984453;
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r_should[3] = 0.017232002550965;
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self.assertEqual(res, r_should)
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