mirror of
https://github.com/triqs/dft_tools
synced 2024-10-31 11:13:46 +01:00
11d394fd5b
* moved the plovasp C++ code to c++/triqs_dft_tools/converters/vasp * added global header triqs_dft_tools/triqs_dft_tools.hpp * python dir based on single cmakelist file * registered C++ tests for plovasp * corrected imports for py3 tests for plovasp * corrected block order in sigma_from_file and srvo3_Gloc * exchanged ref files for sigma_from_file, srvo3_Gloc, SrVO3.ref.h5 * moved vasp converter bash scripts from dir shells to bin dir
39 lines
951 B
Python
39 lines
951 B
Python
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import os
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import numpy as np
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from triqs_dft_tools.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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