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mirror of https://github.com/triqs/dft_tools synced 2024-10-31 19:23:45 +01:00
dft_tools/test/python/plovasp/atm/test_atm.py
Alexander Hampel 11d394fd5b synchronize dfttools with app4triqs structure
* 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
2020-06-10 17:45:53 +02:00

39 lines
951 B
Python

import os
import numpy as np
from triqs_dft_tools.converters.plovasp.atm import dos_tetra_weights_3d
import mytest
################################################################################
#
# TestProjectorShell
#
################################################################################
class TestProjectorShell(mytest.MyTestCase):
"""
Class:
ProjectorShell(sh_pars, proj_raw)
Scenarios:
- **if** a correct input is given **compare** output arrays
"""
# Scenario 1
def test_example(self):
eigs = np.array([-1.5, -1.309017, -1.0, -0.5])
en = -0.55
itt = np.array([[1, 0, 1, 2, 3]]).T
res = dos_tetra_weights_3d(eigs, en, itt)[:, 0]
r_should = np.zeros(4)
r_should[0] = 0.000309016992226;
r_should[1] = 0.000381966005939;
r_should[2] = 0.000618033984453;
r_should[3] = 0.017232002550965;
self.assertEqual(res, r_should)