| rhodent/__init__.py |
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BaseObservableCalculator.__init__ |
42 |
3 |
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BaseObservableCalculator.__str__ |
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2 |
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BaseObservableCalculator._need_derivatives_real_imag |
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1 |
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BaseObservableCalculator._voronoi_shapes |
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BaseObservableCalculator._read_weights_diagonal |
16 |
2 |
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21 |
3 |
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BaseObservableCalculator._iterate_weights_diagonal |
8 |
1 |
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BaseObservableCalculator._iterate_weights_eh |
9 |
1 |
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BaseObservableCalculator.get_result_keys |
1 |
1 |
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| rhodent/calculators/base.py |
BaseObservableCalculator.icalculate |
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1 |
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BaseObservableCalculator.icalculate_gather_on_root |
20 |
8 |
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60% |
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BaseObservableCalculator.write_response_to_disk |
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1 |
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BaseObservableCalculator.broaden_occ |
2 |
0 |
0 |
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BaseObservableCalculator.broaden_unocc |
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BaseObservableCalculator.broaden_xi2o |
2 |
2 |
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BaseObservableCalculator.broaden_xi2u |
2 |
2 |
0 |
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| rhodent/calculators/base.py |
BaseObservableCalculator.broaden_ia2ou |
2 |
0 |
0 |
100% |
| rhodent/calculators/base.py |
(no function) |
83 |
0 |
0 |
100% |
| rhodent/calculators/density.py |
DensityCalculator.__init__ |
12 |
0 |
0 |
100% |
| rhodent/calculators/density.py |
DensityCalculator.gdshape |
2 |
0 |
0 |
100% |
| rhodent/calculators/density.py |
DensityCalculator.gd |
1 |
0 |
0 |
100% |
| rhodent/calculators/density.py |
DensityCalculator.N_c |
1 |
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0 |
0 |
100% |
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0 |
0 |
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DensityCalculator.calc |
1 |
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0 |
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DensityCalculator.get_result_keys |
18 |
5 |
0 |
72% |
| rhodent/calculators/density.py |
DensityCalculator._need_derivatives_real_imag |
1 |
0 |
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DensityCalculator._find_limit |
3 |
3 |
0 |
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| rhodent/calculators/density.py |
DensityCalculator._build_single_filter |
9 |
9 |
0 |
0% |
| rhodent/calculators/density.py |
DensityCalculator.get_density |
28 |
5 |
0 |
82% |
| rhodent/calculators/density.py |
DensityCalculator.icalculate |
30 |
6 |
0 |
80% |
| rhodent/calculators/density.py |
DensityCalculator.calculate_and_write |
40 |
4 |
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| rhodent/calculators/density.py |
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42 |
0 |
0 |
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| rhodent/calculators/dipole.py |
DipoleCalculator.get_result_keys |
36 |
15 |
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58% |
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DipoleCalculator.icalculate |
83 |
50 |
0 |
40% |
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DipoleCalculator._need_derivatives_real_imag |
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0 |
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100% |
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DipoleCalculator._voronoi_shapes |
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2 |
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DipoleCalculator.oscillator_strength_prefactor |
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DipoleCalculator.calculate_and_write |
12 |
1 |
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92% |
| rhodent/calculators/dipole.py |
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18 |
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100% |
| rhodent/calculators/energy.py |
EnergyCalculator.__init__ |
5 |
1 |
0 |
80% |
| rhodent/calculators/energy.py |
EnergyCalculator.get_result_keys |
23 |
2 |
0 |
91% |
| rhodent/calculators/energy.py |
EnergyCalculator.icalculate |
71 |
7 |
0 |
90% |
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EnergyCalculator._need_derivatives_real_imag |
1 |
0 |
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EnergyCalculator._voronoi_shapes |
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0 |
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EnergyCalculator.calculate_and_write |
14 |
1 |
0 |
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24 |
0 |
0 |
100% |
| rhodent/calculators/hotcarriers.py |
HotCarriersCalculator.get_result_keys |
24 |
0 |
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100% |
| rhodent/calculators/hotcarriers.py |
HotCarriersCalculator.icalculate |
42 |
1 |
0 |
98% |
| rhodent/calculators/hotcarriers.py |
HotCarriersCalculator._need_derivatives_real_imag |
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HotCarriersCalculator._voronoi_shapes |
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HotCarriersCalculator.calculate_totals_by_pulse_and_write |
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HotCarriersCalculator.calculate_totals_by_time_and_write |
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HotCarriersCalculator.calculate_distributions_and_write |
12 |
2 |
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83% |
| rhodent/calculators/hotcarriers.py |
calculate_hcdist |
4 |
0 |
0 |
100% |
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(no function) |
18 |
0 |
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100% |
| rhodent/density_matrices/__init__.py |
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6 |
0 |
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100% |
| rhodent/density_matrices/base.py |
WorkMetadata.global_indices |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/base.py |
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1 |
1 |
0 |
0% |
| rhodent/density_matrices/base.py |
WorkMetadata.__str__ |
1 |
0 |
0 |
100% |
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WorkMetadata.__repr__ |
1 |
1 |
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0% |
| rhodent/density_matrices/base.py |
BaseDensityMatrices.__init__ |
15 |
0 |
0 |
100% |
| rhodent/density_matrices/base.py |
BaseDensityMatrices.__str__ |
1 |
1 |
0 |
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| rhodent/density_matrices/base.py |
BaseDensityMatrices.get_memory_estimate |
2 |
0 |
0 |
100% |
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BaseDensityMatrices.parallel_prepare |
0 |
0 |
0 |
100% |
| rhodent/density_matrices/base.py |
BaseDensityMatrices.__iter__ |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/base.py |
BaseDensityMatrices.iread_gather_on_root |
15 |
15 |
0 |
0% |
| rhodent/density_matrices/base.py |
BaseDensityMatrices.ksd |
1 |
0 |
0 |
100% |
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BaseDensityMatrices.log |
1 |
0 |
0 |
100% |
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1 |
1 |
0 |
0% |
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BaseDensityMatrices.reim |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/base.py |
BaseDensityMatrices.work_loop |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/base.py |
BaseDensityMatrices._runtime_verify_work_loop |
5 |
0 |
0 |
100% |
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BaseDensityMatrices.local_work_plan |
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0 |
0 |
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BaseDensityMatrices.local_work_plan_with_idle |
2 |
2 |
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BaseDensityMatrices.global_work_loop_with_idle |
10 |
1 |
0 |
90% |
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BaseDensityMatrices.global_work_loop |
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4 |
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BaseDensityMatrices.localn |
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0 |
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BaseDensityMatrices.globaln |
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3 |
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BaseDensityMatrices.calc_comm |
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0 |
0 |
100% |
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BaseDensityMatrices.calc_comm |
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7 |
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BaseDensityMatrices.loop_comm |
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0 |
0 |
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BaseDensityMatrices.loop_comm |
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8 |
0 |
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BaseDensityMatrices.write_to_disk |
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1 |
0 |
0% |
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(no function) |
60 |
0 |
0 |
100% |
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DensityMatrixBuffer.__init__ |
13 |
0 |
0 |
100% |
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DensityMatrixBuffer.real |
1 |
0 |
0 |
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DensityMatrixBuffer.imag |
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0 |
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DensityMatrixBuffer._get_real |
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DensityMatrixBuffer._get_imag |
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0 |
100% |
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DensityMatrixBuffer._get_data |
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0 |
0 |
100% |
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DensityMatrixBuffer.copy |
4 |
0 |
0 |
100% |
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DensityMatrixBuffer.new |
2 |
0 |
0 |
100% |
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DensityMatrixBuffer.__getitem__ |
9 |
1 |
0 |
89% |
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DensityMatrixBuffer.narrays |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/buffer.py |
DensityMatrixBuffer.nnshape |
1 |
0 |
0 |
100% |
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DensityMatrixBuffer.xshape |
1 |
0 |
0 |
100% |
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DensityMatrixBuffer.shape |
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0 |
0 |
100% |
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DensityMatrixBuffer.dtype |
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0 |
0 |
100% |
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DensityMatrixBuffer.store |
7 |
0 |
0 |
100% |
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DensityMatrixBuffer.zero_buffers |
5 |
0 |
0 |
100% |
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DensityMatrixBuffer.zeros |
1 |
0 |
0 |
100% |
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DensityMatrixBuffer.broadcast_x |
5 |
0 |
0 |
100% |
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DensityMatrixBuffer.nnellipsis |
1 |
0 |
0 |
100% |
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DensityMatrixBuffer.xellipsis |
1 |
0 |
0 |
100% |
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DensityMatrixBuffer.safe_fill |
7 |
0 |
0 |
100% |
| rhodent/density_matrices/buffer.py |
DensityMatrixBuffer.safe_add |
7 |
0 |
0 |
100% |
| rhodent/density_matrices/buffer.py |
DensityMatrixBuffer.derivatives_real |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/buffer.py |
DensityMatrixBuffer.derivatives_imag |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/buffer.py |
DensityMatrixBuffer._iter_buffers |
4 |
0 |
0 |
100% |
| rhodent/density_matrices/buffer.py |
DensityMatrixBuffer._iter_reim_derivatives |
4 |
0 |
0 |
100% |
| rhodent/density_matrices/buffer.py |
DensityMatrixBuffer.ensure_contiguous_buffers |
4 |
0 |
0 |
100% |
| rhodent/density_matrices/buffer.py |
DensityMatrixBuffer.send_arrays |
11 |
9 |
0 |
18% |
| rhodent/density_matrices/buffer.py |
DensityMatrixBuffer.recv_arrays |
10 |
8 |
0 |
20% |
| rhodent/density_matrices/buffer.py |
DensityMatrixBuffer.redistribute |
102 |
0 |
0 |
100% |
| rhodent/density_matrices/buffer.py |
(no function) |
57 |
0 |
0 |
100% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix.__init__ |
19 |
2 |
0 |
89% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix.ksd |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix.rank |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix.comm |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix.f_ia |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix.rho_ia |
4 |
2 |
0 |
50% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix.drho_ia |
4 |
2 |
0 |
50% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix.ddrho_ia |
4 |
2 |
0 |
50% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix.Q_ia |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix.P_ia |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix.dQ_ia |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix.dP_ia |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix.ddQ_ia |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix.ddP_ia |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix._divide_by_sqrt_fia |
8 |
2 |
0 |
75% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix.copy |
3 |
3 |
0 |
0% |
| rhodent/density_matrices/density_matrix.py |
DensityMatrix.broadcast |
25 |
25 |
0 |
0% |
| rhodent/density_matrices/density_matrix.py |
(no function) |
38 |
0 |
0 |
100% |
| rhodent/density_matrices/distributed/__init__.py |
(no function) |
0 |
0 |
0 |
100% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.__init__ |
6 |
1 |
0 |
83% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.dtype |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.xshape |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.ksd |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.comm |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.yield_re |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.yield_im |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.log |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.__iter__ |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.work_loop |
2 |
0 |
0 |
100% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.niters |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.maxntimes |
3 |
1 |
0 |
67% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.maxnchunks |
3 |
1 |
0 |
67% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.describe_reim |
5 |
1 |
0 |
80% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.describe_derivatives |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.work_loop_by_ranks |
11 |
3 |
0 |
73% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.gather_on_root |
20 |
11 |
0 |
45% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.collect_on_root |
19 |
2 |
0 |
89% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.from_reader |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/distributed/base.py |
BaseDistributor.from_parameters |
29 |
10 |
0 |
66% |
| rhodent/density_matrices/distributed/base.py |
RhoIndices.concatenate_indices |
9 |
0 |
0 |
100% |
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RhoParameters.__post_init__ |
2 |
2 |
0 |
0% |
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RhoParameters.full_nnshape |
1 |
0 |
0 |
100% |
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RhoParameters.nnshape |
1 |
0 |
0 |
100% |
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RhoParameters.n1size |
1 |
0 |
0 |
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RhoParameters.n2size |
1 |
0 |
0 |
100% |
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RhoParameters.iterate_indices |
3 |
0 |
0 |
100% |
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RhoParameters.from_ksd |
19 |
0 |
0 |
100% |
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(no function) |
77 |
0 |
0 |
100% |
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FourierTransformer.__init__ |
10 |
0 |
0 |
100% |
| rhodent/density_matrices/distributed/frequency.py |
FourierTransformer.dtype |
1 |
0 |
0 |
100% |
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FourierTransformer.xshape |
1 |
0 |
0 |
100% |
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FourierTransformer.freq_w |
1 |
0 |
0 |
100% |
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FourierTransformer._omega_w |
4 |
0 |
0 |
100% |
| rhodent/density_matrices/distributed/frequency.py |
FourierTransformer.nw |
1 |
0 |
0 |
100% |
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FourierTransformer.nlocalw |
1 |
0 |
0 |
100% |
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FourierTransformer.flt_w |
1 |
0 |
0 |
100% |
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FourierTransformer.result_on_ranks |
1 |
0 |
0 |
100% |
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FourierTransformer.nranks_result |
1 |
0 |
0 |
100% |
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FourierTransformer.distributed_work |
4 |
0 |
0 |
100% |
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FourierTransformer.my_work |
2 |
0 |
0 |
100% |
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FourierTransformer.__str__ |
20 |
0 |
0 |
100% |
| rhodent/density_matrices/distributed/frequency.py |
FourierTransformer.get_memory_estimate |
14 |
0 |
0 |
100% |
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FourierTransformer.__iter__ |
17 |
0 |
0 |
100% |
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FourierTransformer.dist_buffer |
3 |
0 |
0 |
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FourierTransformer.create_out_buffer |
5 |
0 |
0 |
100% |
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FourierTransformer.create_result_buffer |
5 |
0 |
0 |
100% |
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FourierTransformer.redistribute |
28 |
3 |
0 |
89% |
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FourierTransformer.from_reader |
3 |
0 |
0 |
100% |
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(no function) |
45 |
0 |
0 |
100% |
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PulseConvolver.__init__ |
29 |
4 |
0 |
86% |
| rhodent/density_matrices/distributed/pulse.py |
PulseConvolver.dtype |
1 |
0 |
0 |
100% |
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PulseConvolver.xshape |
1 |
0 |
0 |
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PulseConvolver.time_t |
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0 |
0 |
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PulseConvolver.nt |
1 |
0 |
0 |
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PulseConvolver.nlocalt |
1 |
0 |
0 |
100% |
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PulseConvolver.upscaling |
1 |
0 |
0 |
100% |
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PulseConvolver.result_on_ranks |
1 |
0 |
0 |
100% |
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PulseConvolver.nranks_result |
1 |
0 |
0 |
100% |
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PulseConvolver.distributed_work |
4 |
0 |
0 |
100% |
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PulseConvolver.my_work |
2 |
0 |
0 |
100% |
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PulseConvolver.__str__ |
31 |
4 |
0 |
87% |
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PulseConvolver.get_memory_estimate |
14 |
0 |
0 |
100% |
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PulseConvolver._freq_domain_derivative |
6 |
0 |
0 |
100% |
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PulseConvolver.dist_buffer |
3 |
0 |
0 |
100% |
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PulseConvolver.__iter__ |
21 |
0 |
0 |
100% |
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PulseConvolver.create_out_buffer |
5 |
0 |
0 |
100% |
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PulseConvolver.create_result_buffer |
5 |
0 |
0 |
100% |
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PulseConvolver.redistribute |
27 |
3 |
0 |
89% |
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PulseConvolver.from_reader |
3 |
0 |
0 |
100% |
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(no function) |
45 |
0 |
0 |
100% |
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TimeDistributor.__init__ |
3 |
1 |
0 |
67% |
| rhodent/density_matrices/distributed/time.py |
TimeDistributor.dtype |
1 |
0 |
0 |
100% |
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TimeDistributor.xshape |
1 |
0 |
0 |
100% |
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TimeDistributor.dt |
1 |
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100% |
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100% |
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TimeDistributor.time_t |
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TimeDistributor.__str__ |
7 |
7 |
0 |
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TimeDistributor.get_memory_estimate |
6 |
6 |
0 |
0% |
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TimeDistributor.__iter__ |
19 |
2 |
0 |
89% |
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TimeDistributor.from_reader |
1 |
1 |
0 |
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AlltoallvTimeDistributor.__init__ |
3 |
1 |
0 |
67% |
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AlltoallvTimeDistributor.__str__ |
11 |
0 |
0 |
100% |
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AlltoallvTimeDistributor.get_memory_estimate |
12 |
0 |
0 |
100% |
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AlltoallvTimeDistributor.first_indices |
5 |
0 |
0 |
100% |
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AlltoallvTimeDistributor.__iter__ |
40 |
4 |
0 |
90% |
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(no function) |
33 |
0 |
0 |
100% |
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FrequencyDensityMatrixMetadata.__new__ |
6 |
0 |
0 |
100% |
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FrequencyDensityMatrixMetadata.global_indices |
1 |
0 |
0 |
100% |
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FrequencyDensityMatrixMetadata.freq |
1 |
0 |
0 |
100% |
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FrequencyDensityMatrixMetadata.reim |
1 |
0 |
0 |
100% |
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FrequencyDensityMatrixMetadata.desc |
1 |
0 |
0 |
100% |
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FrequencyDensityMatrixMetadata.real |
1 |
0 |
0 |
100% |
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FrequencyDensityMatrixMetadata.imag |
1 |
1 |
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FrequencyDensityMatrices.__init__ |
3 |
0 |
0 |
100% |
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FrequencyDensityMatrices.frequencies |
1 |
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FrequencyDensityMatrices.frequency_broadening |
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0 |
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FrequencyDensityMatrices.work_loop |
8 |
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FrequencyDensityMatrices.write_to_disk |
16 |
0 |
0 |
100% |
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FrequencyDensityMatricesFromDisk.__init__ |
5 |
0 |
0 |
100% |
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FrequencyDensityMatricesFromDisk.__str__ |
1 |
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100% |
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FrequencyDensityMatricesFromDisk.__iter__ |
8 |
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FrequencyDensityMatricesFromWaveFunctions.__init__ |
5 |
0 |
0 |
100% |
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FrequencyDensityMatricesFromWaveFunctions.__str__ |
9 |
0 |
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100% |
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FrequencyDensityMatricesFromWaveFunctions.get_memory_estimate |
1 |
0 |
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FrequencyDensityMatricesFromWaveFunctions.myw |
1 |
0 |
0 |
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FrequencyDensityMatricesFromWaveFunctions.__iter__ |
12 |
0 |
0 |
100% |
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FrequencyDensityMatricesFromWaveFunctions.parallel_prepare |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/frequency.py |
(no function) |
54 |
0 |
0 |
100% |
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(no function) |
0 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/gpaw.py |
BaseWfsReader.__init__ |
10 |
0 |
0 |
100% |
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BaseWfsReader.comm |
1 |
0 |
0 |
100% |
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BaseWfsReader.yield_re |
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BaseWfsReader.yield_im |
1 |
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BaseWfsReader.log |
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BaseWfsReader.time_t |
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BaseWfsReader.nt |
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0 |
0 |
100% |
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BaseWfsReader.dt |
6 |
2 |
0 |
67% |
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BaseWfsReader.work_loop |
2 |
0 |
0 |
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BaseWfsReader.work_loop_by_ranks |
6 |
0 |
0 |
100% |
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BaseWfsReader.global_work_loop |
5 |
1 |
0 |
80% |
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BaseWfsReader.iread |
1 |
1 |
0 |
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BaseWfsReader.nnshape |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/readers/gpaw.py |
BaseWfsReader.gather_on_root |
19 |
11 |
0 |
42% |
| rhodent/density_matrices/readers/gpaw.py |
BaseWfsReader.collect_on_root |
16 |
2 |
0 |
88% |
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KohnShamRhoWfsReader.__init__ |
17 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/gpaw.py |
KohnShamRhoWfsReader.__str__ |
12 |
0 |
0 |
100% |
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KohnShamRhoWfsReader.get_memory_estimate |
5 |
0 |
0 |
100% |
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KohnShamRhoWfsReader.ksd |
1 |
0 |
0 |
100% |
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KohnShamRhoWfsReader.C0S_sknM |
6 |
0 |
0 |
100% |
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KohnShamRhoWfsReader.rho0_sknn |
8 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/gpaw.py |
KohnShamRhoWfsReader.nnshape |
4 |
0 |
0 |
100% |
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KohnShamRhoWfsReader.parallel_prepare |
2 |
0 |
0 |
100% |
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KohnShamRhoWfsReader.iread |
22 |
0 |
0 |
100% |
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LCAORhoWfsReader.__init__ |
5 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/gpaw.py |
LCAORhoWfsReader.nn |
1 |
0 |
0 |
100% |
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LCAORhoWfsReader.striden |
1 |
0 |
0 |
100% |
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LCAORhoWfsReader.true_striden |
3 |
0 |
0 |
100% |
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LCAORhoWfsReader.f_skn |
3 |
0 |
0 |
100% |
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LCAORhoWfsReader.C0_sknM |
5 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/gpaw.py |
LCAORhoWfsReader.rho0_skMM |
6 |
0 |
0 |
100% |
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LCAORhoWfsReader.inner_work_loop |
2 |
0 |
0 |
100% |
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LCAORhoWfsReader.subtract_ground_state |
2 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/gpaw.py |
LCAORhoWfsReader.nnshape |
4 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/gpaw.py |
LCAORhoWfsReader.iread |
26 |
1 |
0 |
96% |
| rhodent/density_matrices/readers/gpaw.py |
WfsReader.__init__ |
3 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/gpaw.py |
WfsReader.nn |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/readers/gpaw.py |
WfsReader.nM |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/readers/gpaw.py |
WfsReader.f_skn |
3 |
3 |
0 |
0% |
| rhodent/density_matrices/readers/gpaw.py |
WfsReader.C0_sknM |
5 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/gpaw.py |
WfsReader.nnshape |
4 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/gpaw.py |
WfsReader.iread |
15 |
1 |
0 |
93% |
| rhodent/density_matrices/readers/gpaw.py |
prepare_wave_function_readers |
66 |
4 |
0 |
94% |
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prepare_wave_function_readers.round_up |
3 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/gpaw.py |
read_C0S_parallel |
12 |
1 |
0 |
92% |
| rhodent/density_matrices/readers/gpaw.py |
calculate_rho0_parallel |
10 |
1 |
0 |
90% |
| rhodent/density_matrices/readers/gpaw.py |
proxy_coefficients |
3 |
0 |
0 |
100% |
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proxy_occupations |
3 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/gpaw.py |
proxy_C_nM |
10 |
2 |
0 |
80% |
| rhodent/density_matrices/readers/gpaw.py |
(no function) |
90 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/numpy.py |
TimeDensityMatrixReader.__init__ |
21 |
1 |
0 |
95% |
| rhodent/density_matrices/readers/numpy.py |
TimeDensityMatrixReader.ksd |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/numpy.py |
TimeDensityMatrixReader.comm |
1 |
0 |
0 |
100% |
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TimeDensityMatrixReader.log |
1 |
1 |
0 |
0% |
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TimeDensityMatrixReader.times |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/numpy.py |
TimeDensityMatrixReader.nt |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/readers/numpy.py |
TimeDensityMatrixReader.pulses |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/numpy.py |
TimeDensityMatrixReader.__str__ |
10 |
10 |
0 |
0% |
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TimeDensityMatrixReader.read |
8 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/numpy.py |
FrequencyDensityMatrixReader.__init__ |
20 |
1 |
0 |
95% |
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FrequencyDensityMatrixReader.ksd |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/numpy.py |
FrequencyDensityMatrixReader.comm |
1 |
0 |
0 |
100% |
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FrequencyDensityMatrixReader.log |
1 |
0 |
0 |
100% |
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FrequencyDensityMatrixReader.frequencies |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/numpy.py |
FrequencyDensityMatrixReader.nw |
1 |
0 |
0 |
100% |
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FrequencyDensityMatrixReader.__str__ |
10 |
2 |
0 |
80% |
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FrequencyDensityMatrixReader.read |
9 |
0 |
0 |
100% |
| rhodent/density_matrices/readers/numpy.py |
read_numpy |
17 |
4 |
0 |
76% |
| rhodent/density_matrices/readers/numpy.py |
extract_common |
23 |
3 |
0 |
87% |
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(no function) |
42 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatrixMetadata.__new__ |
6 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatrixMetadata.global_indices |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatrixMetadata.time |
1 |
0 |
0 |
100% |
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ConvolutionDensityMatrixMetadata.pulse |
1 |
0 |
0 |
100% |
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ConvolutionDensityMatrixMetadata.desc |
8 |
1 |
0 |
88% |
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ConvolutionDensityMatrices.__init__ |
15 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatrices.times |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatrices.nt |
1 |
0 |
0 |
100% |
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ConvolutionDensityMatrices.pulses |
1 |
0 |
0 |
100% |
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ConvolutionDensityMatrices.derivative_order_s |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatrices.work_loop |
9 |
1 |
0 |
89% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatrices.write_to_disk |
18 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
TimeDensityMatricesFromWaveFunctions.__init__ |
6 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
TimeDensityMatricesFromWaveFunctions.__str__ |
13 |
3 |
0 |
77% |
| rhodent/density_matrices/time.py |
TimeDensityMatricesFromWaveFunctions.get_memory_estimate |
9 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
TimeDensityMatricesFromWaveFunctions.__iter__ |
15 |
3 |
0 |
80% |
| rhodent/density_matrices/time.py |
TimeDensityMatricesFromWaveFunctions.parallel_prepare |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatricesFromDisk.__init__ |
5 |
5 |
0 |
0% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatricesFromDisk.__str__ |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatricesFromDisk.__iter__ |
10 |
10 |
0 |
0% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatricesFromFrequency.__init__ |
9 |
1 |
0 |
89% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatricesFromFrequency.__str__ |
5 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatricesFromFrequency.__iter__ |
21 |
3 |
0 |
86% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatricesFromWaveFunctions.__init__ |
5 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatricesFromWaveFunctions.__str__ |
9 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatricesFromWaveFunctions.get_memory_estimate |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatricesFromWaveFunctions.myt |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatricesFromWaveFunctions.work_loop |
8 |
1 |
0 |
88% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatricesFromWaveFunctions.__iter__ |
27 |
4 |
0 |
85% |
| rhodent/density_matrices/time.py |
ConvolutionDensityMatricesFromWaveFunctions.parallel_prepare |
1 |
1 |
0 |
0% |
| rhodent/density_matrices/time.py |
ExactFourierTransformer.__init__ |
21 |
3 |
0 |
86% |
| rhodent/density_matrices/time.py |
ExactFourierTransformer.comm |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ExactFourierTransformer.full_nnshape |
2 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ExactFourierTransformer.nnshape |
2 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ExactFourierTransformer.myslice |
1 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ExactFourierTransformer.slice_of_rank |
2 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ExactFourierTransformer.parallel_prepare |
9 |
0 |
0 |
100% |
| rhodent/density_matrices/time.py |
ExactFourierTransformer.convolve |
35 |
2 |
0 |
94% |
| rhodent/density_matrices/time.py |
ExactFourierTransformer.from_file |
10 |
3 |
0 |
70% |
| rhodent/density_matrices/time.py |
(no function) |
85 |
0 |
0 |
100% |
| rhodent/dos.py |
DOSCalculator.__init__ |
9 |
0 |
0 |
100% |
| rhodent/dos.py |
DOSCalculator.voronoi |
1 |
0 |
0 |
100% |
| rhodent/dos.py |
DOSCalculator.log |
1 |
0 |
0 |
100% |
| rhodent/dos.py |
DOSCalculator.zero |
3 |
0 |
0 |
100% |
| rhodent/dos.py |
DOSCalculator.eig_n |
1 |
0 |
0 |
100% |
| rhodent/dos.py |
DOSCalculator.energies |
1 |
0 |
0 |
100% |
| rhodent/dos.py |
DOSCalculator.sigma |
1 |
0 |
0 |
100% |
| rhodent/dos.py |
DOSCalculator.calculate_dos |
6 |
1 |
0 |
83% |
| rhodent/dos.py |
DOSCalculator.icalculate_pdos |
13 |
2 |
0 |
85% |
| rhodent/dos.py |
DOSCalculator.from_gpw |
6 |
0 |
0 |
100% |
| rhodent/dos.py |
DOSCalculator.from_calc |
3 |
3 |
0 |
0% |
| rhodent/dos.py |
DOSCalculator.calculate_dos_and_write |
18 |
3 |
0 |
83% |
| rhodent/dos.py |
DOSCalculator.calculate_pdos_and_write |
25 |
5 |
0 |
80% |
| rhodent/dos.py |
(no function) |
32 |
0 |
0 |
100% |
| rhodent/perturbation.py |
create_perturbation |
13 |
1 |
0 |
92% |
| rhodent/perturbation.py |
Perturbation.timestep |
6 |
2 |
0 |
67% |
| rhodent/perturbation.py |
Perturbation.frequencies |
4 |
4 |
0 |
0% |
| rhodent/perturbation.py |
Perturbation.normalize_frequency_response |
1 |
1 |
0 |
0% |
| rhodent/perturbation.py |
Perturbation.normalize_time_response |
9 |
0 |
0 |
100% |
| rhodent/perturbation.py |
Perturbation.amplitude |
1 |
1 |
0 |
0% |
| rhodent/perturbation.py |
Perturbation.fourier |
1 |
1 |
0 |
0% |
| rhodent/perturbation.py |
Perturbation.todict |
1 |
1 |
0 |
0% |
| rhodent/perturbation.py |
Perturbation.__eq__ |
14 |
5 |
0 |
64% |
| rhodent/perturbation.py |
NoPerturbation.__init__ |
1 |
0 |
0 |
100% |
| rhodent/perturbation.py |
NoPerturbation.amplitude |
1 |
1 |
0 |
0% |
| rhodent/perturbation.py |
NoPerturbation.fourier |
1 |
1 |
0 |
0% |
| rhodent/perturbation.py |
NoPerturbation.normalize_frequency_response |
1 |
1 |
0 |
0% |
| rhodent/perturbation.py |
NoPerturbation.__str__ |
1 |
0 |
0 |
100% |
| rhodent/perturbation.py |
NoPerturbation.todict |
1 |
0 |
0 |
100% |
| rhodent/perturbation.py |
DeltaKick.__init__ |
1 |
0 |
0 |
100% |
| rhodent/perturbation.py |
DeltaKick.amplitude |
3 |
3 |
0 |
0% |
| rhodent/perturbation.py |
DeltaKick.fourier |
2 |
2 |
0 |
0% |
| rhodent/perturbation.py |
DeltaKick.normalize_frequency_response |
2 |
0 |
0 |
100% |
| rhodent/perturbation.py |
DeltaKick.normalize_time_response |
1 |
0 |
0 |
100% |
| rhodent/perturbation.py |
DeltaKick.todict |
1 |
0 |
0 |
100% |
| rhodent/perturbation.py |
DeltaKick.__str__ |
1 |
0 |
0 |
100% |
| rhodent/perturbation.py |
PulsePerturbation.__init__ |
1 |
0 |
0 |
100% |
| rhodent/perturbation.py |
PulsePerturbation.amplitude |
1 |
1 |
0 |
0% |
| rhodent/perturbation.py |
PulsePerturbation.fourier |
4 |
4 |
0 |
0% |
| rhodent/perturbation.py |
PulsePerturbation.normalize_frequency_response |
10 |
0 |
0 |
100% |
| rhodent/perturbation.py |
PulsePerturbation.todict |
4 |
2 |
0 |
50% |
| rhodent/perturbation.py |
PulsePerturbation.__str__ |
11 |
0 |
0 |
100% |
| rhodent/perturbation.py |
(no function) |
44 |
0 |
0 |
100% |
| rhodent/response/__init__.py |
(no function) |
5 |
0 |
0 |
100% |
| rhodent/response/base.py |
BaseResponse.__init__ |
6 |
1 |
0 |
83% |
| rhodent/response/base.py |
BaseResponse.__str__ |
5 |
0 |
0 |
100% |
| rhodent/response/base.py |
BaseResponse.ksd |
1 |
0 |
0 |
100% |
| rhodent/response/base.py |
BaseResponse.perturbation |
1 |
0 |
0 |
100% |
| rhodent/response/base.py |
BaseResponse._get_time_density_matrices |
1 |
1 |
0 |
0% |
| rhodent/response/base.py |
BaseResponse._get_frequency_density_matrices |
1 |
1 |
0 |
0% |
| rhodent/response/base.py |
BaseResponse.iterate_density_matrices_in_time |
2 |
0 |
0 |
100% |
| rhodent/response/base.py |
BaseResponse.iterate_density_matrices_in_frequency |
2 |
0 |
0 |
100% |
| rhodent/response/base.py |
BaseResponse.write_in_time |
2 |
0 |
0 |
100% |
| rhodent/response/base.py |
BaseResponse.write_in_frequency |
2 |
0 |
0 |
100% |
| rhodent/response/base.py |
(no function) |
26 |
0 |
0 |
100% |
| rhodent/response/gpaw.py |
ResponseFromWaveFunctions.__init__ |
3 |
0 |
0 |
100% |
| rhodent/response/gpaw.py |
ResponseFromWaveFunctions.__str__ |
6 |
0 |
0 |
100% |
| rhodent/response/gpaw.py |
ResponseFromWaveFunctions._get_time_density_matrices |
6 |
1 |
0 |
83% |
| rhodent/response/gpaw.py |
ResponseFromWaveFunctions._get_frequency_density_matrices |
4 |
1 |
0 |
75% |
| rhodent/response/gpaw.py |
(no function) |
16 |
0 |
0 |
100% |
| rhodent/response/numpy.py |
ResponseFromDensityMatrices.__init__ |
2 |
2 |
0 |
0% |
| rhodent/response/numpy.py |
ResponseFromDensityMatrices.__str__ |
6 |
6 |
0 |
0% |
| rhodent/response/numpy.py |
ResponseFromDensityMatrices._get_time_density_matrices |
4 |
4 |
0 |
0% |
| rhodent/response/numpy.py |
ResponseFromDensityMatrices._get_frequency_density_matrices |
1 |
1 |
0 |
0% |
| rhodent/response/numpy.py |
ResponseFromFourierTransform.__init__ |
4 |
1 |
0 |
75% |
| rhodent/response/numpy.py |
ResponseFromFourierTransform.__str__ |
6 |
0 |
0 |
100% |
| rhodent/response/numpy.py |
ResponseFromFourierTransform._get_time_density_matrices |
4 |
1 |
0 |
75% |
| rhodent/response/numpy.py |
ResponseFromFourierTransform._get_frequency_density_matrices |
4 |
1 |
0 |
75% |
| rhodent/response/numpy.py |
(no function) |
20 |
0 |
0 |
100% |
| rhodent/spectrum.py |
SpectrumCalculator.__init__ |
23 |
2 |
0 |
91% |
| rhodent/spectrum.py |
SpectrumCalculator.times |
1 |
0 |
0 |
100% |
| rhodent/spectrum.py |
SpectrumCalculator.dipole_moments |
1 |
1 |
0 |
0% |
| rhodent/spectrum.py |
SpectrumCalculator.perturbation |
1 |
0 |
0 |
100% |
| rhodent/spectrum.py |
SpectrumCalculator._get_dynamic_polarizability |
10 |
0 |
0 |
100% |
| rhodent/spectrum.py |
SpectrumCalculator.get_dynamic_polarizability |
3 |
3 |
0 |
0% |
| rhodent/spectrum.py |
SpectrumCalculator._get_dipole_strength_function |
4 |
0 |
0 |
100% |
| rhodent/spectrum.py |
SpectrumCalculator.get_dipole_strength_function |
3 |
0 |
0 |
100% |
| rhodent/spectrum.py |
SpectrumCalculator.from_file |
2 |
0 |
0 |
100% |
| rhodent/spectrum.py |
SpectrumCalculator.calculate_spectrum_and_write |
16 |
3 |
0 |
81% |
| rhodent/spectrum.py |
(no function) |
25 |
0 |
0 |
100% |
| rhodent/typing.py |
ArrayIsOnRootRank.__new__ |
1 |
1 |
0 |
0% |
| rhodent/typing.py |
(no function) |
16 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
ParallelMatrix.__init__ |
13 |
3 |
0 |
77% |
| rhodent/utils/__init__.py |
ParallelMatrix.array |
4 |
1 |
0 |
75% |
| rhodent/utils/__init__.py |
ParallelMatrix.root |
1 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
ParallelMatrix.T |
2 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
ParallelMatrix.broadcast |
5 |
1 |
0 |
80% |
| rhodent/utils/__init__.py |
ParallelMatrix.__matmul__ |
15 |
1 |
0 |
93% |
| rhodent/utils/__init__.py |
gauss_ij_with_filter |
12 |
3 |
0 |
75% |
| rhodent/utils/__init__.py |
gauss_ij |
2 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
broaden_n2e |
4 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
broaden_xn2e |
4 |
4 |
0 |
0% |
| rhodent/utils/__init__.py |
broaden_ia2ou |
8 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
get_array_filter |
10 |
1 |
0 |
90% |
| rhodent/utils/__init__.py |
filter_array |
2 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
two_communicator_sizes |
8 |
2 |
0 |
75% |
| rhodent/utils/__init__.py |
two_communicators |
11 |
8 |
0 |
27% |
| rhodent/utils/__init__.py |
detect_repeatrange |
6 |
6 |
0 |
0% |
| rhodent/utils/__init__.py |
safe_fill |
4 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
safe_fill_larger |
4 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
concatenate_indices |
9 |
1 |
0 |
89% |
| rhodent/utils/__init__.py |
_concatenate_indices |
6 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
parulmopen |
3 |
1 |
0 |
67% |
| rhodent/utils/__init__.py |
proxy_sknX_slicen |
8 |
1 |
0 |
88% |
| rhodent/utils/__init__.py |
add_fake_kpts |
10 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
create_pulse |
10 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
get_gaussian_pulse_values |
7 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
fast_pad |
6 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
format_string_to_glob |
2 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
format_string_to_regex |
10 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
partial_format |
5 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
partial_format.partial_format_single |
4 |
0 |
0 |
100% |
| rhodent/utils/__init__.py |
find_files |
30 |
1 |
0 |
97% |
| rhodent/utils/__init__.py |
(no function) |
57 |
0 |
0 |
100% |
| rhodent/utils/env.py |
rhodent_getenv |
5 |
2 |
0 |
60% |
| rhodent/utils/env.py |
get_float |
6 |
2 |
0 |
67% |
| rhodent/utils/env.py |
get_response_max_mem |
3 |
1 |
0 |
67% |
| rhodent/utils/env.py |
(no function) |
5 |
0 |
0 |
100% |
| rhodent/utils/logging.py |
Logger.__init__ |
6 |
2 |
0 |
67% |
| rhodent/utils/logging.py |
Logger.t0 |
1 |
0 |
0 |
100% |
| rhodent/utils/logging.py |
Logger.t0 |
5 |
5 |
0 |
0% |
| rhodent/utils/logging.py |
Logger.__getitem__ |
1 |
0 |
0 |
100% |
| rhodent/utils/logging.py |
Logger.__call__ |
12 |
3 |
0 |
75% |
| rhodent/utils/logging.py |
Logger.__str__ |
2 |
2 |
0 |
0% |
| rhodent/utils/logging.py |
Logger.log |
5 |
0 |
0 |
100% |
| rhodent/utils/logging.py |
Logger.start |
1 |
0 |
0 |
100% |
| rhodent/utils/logging.py |
Logger.elapsed |
1 |
0 |
0 |
100% |
| rhodent/utils/logging.py |
Logger.startup_message |
22 |
1 |
0 |
95% |
| rhodent/utils/logging.py |
NoLogger.__str__ |
1 |
1 |
0 |
0% |
| rhodent/utils/logging.py |
NoLogger.log |
1 |
0 |
0 |
100% |
| rhodent/utils/logging.py |
format_times |
11 |
1 |
0 |
91% |
| rhodent/utils/logging.py |
format_frequencies |
11 |
2 |
0 |
82% |
| rhodent/utils/logging.py |
(no function) |
33 |
0 |
0 |
100% |
| rhodent/utils/memory.py |
MemoryEntry.get_total_size |
3 |
0 |
0 |
100% |
| rhodent/utils/memory.py |
MemoryEstimate.__str__ |
23 |
0 |
0 |
100% |
| rhodent/utils/memory.py |
MemoryEstimate.grand_total |
6 |
0 |
0 |
100% |
| rhodent/utils/memory.py |
MemoryEstimate.add_key |
8 |
1 |
0 |
88% |
| rhodent/utils/memory.py |
MemoryEstimate.add_child |
2 |
0 |
0 |
100% |
| rhodent/utils/memory.py |
HasMemoryEstimate.get_memory_estimate |
1 |
1 |
0 |
0% |
| rhodent/utils/memory.py |
(no function) |
25 |
0 |
0 |
100% |
| rhodent/utils/result.py |
ResultKeys.__init__ |
3 |
0 |
0 |
100% |
| rhodent/utils/result.py |
ResultKeys.add_key |
6 |
0 |
0 |
100% |
| rhodent/utils/result.py |
ResultKeys.remove |
2 |
0 |
0 |
100% |
| rhodent/utils/result.py |
ResultKeys.__contains__ |
1 |
0 |
0 |
100% |
| rhodent/utils/result.py |
ResultKeys.__iter__ |
2 |
0 |
0 |
100% |
| rhodent/utils/result.py |
ResultKeys.__getitem__ |
2 |
0 |
0 |
100% |
| rhodent/utils/result.py |
ResultKeys.__copy__ |
3 |
0 |
0 |
100% |
| rhodent/utils/result.py |
Result.__init__ |
2 |
0 |
0 |
100% |
| rhodent/utils/result.py |
Result.__contains__ |
1 |
0 |
0 |
100% |
| rhodent/utils/result.py |
Result.__setitem__ |
5 |
0 |
0 |
100% |
| rhodent/utils/result.py |
Result.__getitem__ |
2 |
0 |
0 |
100% |
| rhodent/utils/result.py |
Result.__str__ |
4 |
4 |
0 |
0% |
| rhodent/utils/result.py |
Result.set_to |
4 |
0 |
0 |
100% |
| rhodent/utils/result.py |
Result.add_to |
4 |
0 |
0 |
100% |
| rhodent/utils/result.py |
Result.create_all_empty |
4 |
0 |
0 |
100% |
| rhodent/utils/result.py |
Result.create_all_zeros |
4 |
1 |
0 |
75% |
| rhodent/utils/result.py |
Result.remove |
2 |
2 |
0 |
0% |
| rhodent/utils/result.py |
Result.empty |
2 |
2 |
0 |
0% |
| rhodent/utils/result.py |
Result.assert_keys |
11 |
11 |
0 |
0% |
| rhodent/utils/result.py |
Result.send |
4 |
4 |
0 |
0% |
| rhodent/utils/result.py |
Result.inplace_receive |
4 |
4 |
0 |
0% |
| rhodent/utils/result.py |
(no function) |
29 |
0 |
0 |
100% |
| rhodent/voronoi.py |
VoronoiWeights.__init__ |
6 |
0 |
0 |
100% |
| rhodent/voronoi.py |
VoronoiWeights.__enter__ |
1 |
1 |
0 |
0% |
| rhodent/voronoi.py |
VoronoiWeights.__exit__ |
1 |
1 |
0 |
0% |
| rhodent/voronoi.py |
VoronoiWeights.__len__ |
1 |
0 |
0 |
100% |
| rhodent/voronoi.py |
VoronoiWeights.__iter__ |
1 |
1 |
0 |
0% |
| rhodent/voronoi.py |
VoronoiWeights.__str__ |
7 |
1 |
0 |
86% |
| rhodent/voronoi.py |
VoronoiWeights.root |
1 |
0 |
0 |
100% |
| rhodent/voronoi.py |
VoronoiWeights.log |
1 |
0 |
0 |
100% |
| rhodent/voronoi.py |
VoronoiWeights.atom_projections |
1 |
1 |
0 |
0% |
| rhodent/voronoi.py |
VoronoiWeights.nn |
1 |
1 |
0 |
0% |
| rhodent/voronoi.py |
VoronoiWeights.nproj |
1 |
0 |
0 |
100% |
| rhodent/voronoi.py |
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13 |
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VoronoiLCAOReader.__init__ |
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VoronoiLCAOWeightCalculator.__init__ |
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VoronoiGrid.a_G |
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VoronoiGrid.write |
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VoronoiGridReader.__init__ |
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atom_projections_to_numpy |
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proj_as_dict_on_master |
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EnergyWriter.__init__ |
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HotCarriersWriter.__init__ |
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HotCarriersWriter.common_arrays |
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86 |
22 |
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1 |
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write_hot_carrier_totals_by_time |
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write_spectrum |
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DipoleWriter.__init__ |
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DipoleWriter.common_arrays |
26 |
2 |
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DipoleWriter.fill_ulm |
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ResultsCollector.__init__ |
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TimeResultsCollector.__init__ |
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TimeResultsCollector.accumulate_results |
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TimeAverageResultsCollector.__init__ |
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Writer.__init__ |
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Writer.density_matrices |
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Writer.calculate_data |
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wrap_test |
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100% |
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wrap_test.copy |
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wrap_test.copy.calltest |
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0 |
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get_permanent_test_file |
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0 |
0 |
100% |
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frho |
32 |
2 |
0 |
94% |
| tests/__init__.py |
(no function) |
9 |
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execute_in_tmp_path |
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11 |
0 |
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in_tmp_dir |
2 |
2 |
0 |
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cache_path |
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2 |
0 |
88% |
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cached_file_if_existing |
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0 |
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cached_file_if_existing._cached_file_if_existing |
11 |
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91% |
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gpw_fname |
1 |
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0 |
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wfs_fname |
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wfssnap_fname |
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ref_density_matrix |
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0 |
100% |
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ref_voronoi |
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0 |
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ref_hcdist |
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ref_energy |
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ksd_fname |
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dm_sinc |
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0 |
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dm_delta |
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0 |
100% |
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frho_dname |
4 |
0 |
0 |
100% |
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mock_voronoi |
4 |
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0 |
100% |
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mock_voronoi.factory |
2 |
0 |
0 |
100% |
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mock_ks_rho_reader |
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0 |
0 |
100% |
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mock_ks_rho_reader.factory |
2 |
0 |
0 |
100% |
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mock_time_density_matrices |
2 |
2 |
0 |
0% |
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mock_time_density_matrices.factory |
2 |
2 |
0 |
0% |
| tests/conftest.py |
mock_convolution_density_matrices |
2 |
2 |
0 |
0% |
| tests/conftest.py |
mock_convolution_density_matrices.factory |
2 |
2 |
0 |
0% |
| tests/conftest.py |
mock_frequency_density_matrices |
2 |
2 |
0 |
0% |
| tests/conftest.py |
mock_frequency_density_matrices.factory |
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2 |
0 |
0% |
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mock_response |
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0 |
0 |
100% |
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mock_response.factory |
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0 |
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100% |
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54 |
0 |
0 |
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| tests/integration/__init__.py |
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0 |
0 |
0 |
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0 |
0 |
0 |
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test_density_matrix_frho_against_wave_functions |
46 |
2 |
0 |
96% |
| tests/integration/density_matrices/distributed/test_frequency.py |
(no function) |
6 |
0 |
0 |
100% |
| tests/integration/density_matrices/distributed/test_pulse.py |
test_density_matrix_frho_against_wave_functions |
41 |
2 |
0 |
95% |
| tests/integration/density_matrices/distributed/test_pulse.py |
(no function) |
6 |
0 |
0 |
100% |
| tests/integration/test_dipole.py |
test_dipole_calculator_frequency_domain |
29 |
1 |
0 |
97% |
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test_dipole_calculator_time_domain |
56 |
1 |
0 |
98% |
| tests/integration/test_dipole.py |
(no function) |
12 |
0 |
0 |
100% |
| tests/integration/test_dos.py |
dos_calc |
7 |
0 |
0 |
100% |
| tests/integration/test_dos.py |
test_dos_pdos |
24 |
0 |
0 |
100% |
| tests/integration/test_dos.py |
test_no_pdos |
2 |
0 |
0 |
100% |
| tests/integration/test_dos.py |
(no function) |
17 |
0 |
0 |
100% |
| tests/integration/test_energy.py |
energy_pulse_sweep |
22 |
1 |
0 |
95% |
| tests/integration/test_energy.py |
get_keys |
3 |
0 |
0 |
100% |
| tests/integration/test_energy.py |
get_reference_pulses_and_times |
4 |
0 |
0 |
100% |
| tests/integration/test_energy.py |
write_reference_data |
6 |
6 |
0 |
0% |
| tests/integration/test_energy.py |
test_energy_frho_against_reference |
15 |
2 |
0 |
87% |
| tests/integration/test_energy.py |
test_energy_wave_functions_against_reference |
12 |
2 |
0 |
83% |
| tests/integration/test_energy.py |
(no function) |
21 |
4 |
0 |
81% |
| tests/integration/test_hotcarriers.py |
hcdist_pulse_sweep |
23 |
1 |
0 |
96% |
| tests/integration/test_hotcarriers.py |
get_keys |
3 |
0 |
0 |
100% |
| tests/integration/test_hotcarriers.py |
get_reference_pulses_and_times |
4 |
0 |
0 |
100% |
| tests/integration/test_hotcarriers.py |
get_voronoi |
4 |
0 |
0 |
100% |
| tests/integration/test_hotcarriers.py |
write_reference_data |
6 |
6 |
0 |
0% |
| tests/integration/test_hotcarriers.py |
test_hcdist_frho_against_reference |
13 |
2 |
0 |
85% |
| tests/integration/test_hotcarriers.py |
test_hcdist_wave_functions_against_reference |
10 |
2 |
0 |
80% |
| tests/integration/test_hotcarriers.py |
(no function) |
22 |
4 |
0 |
82% |
| tests/integration/test_spectrum.py |
write_reference_data |
6 |
6 |
0 |
0% |
| tests/integration/test_spectrum.py |
test_spectrum |
43 |
0 |
0 |
100% |
| tests/integration/test_spectrum.py |
(no function) |
13 |
3 |
0 |
77% |
| tests/mock.py |
MockVoronoiWeights.__init__ |
6 |
0 |
0 |
100% |
| tests/mock.py |
MockVoronoiWeights.atom_projections |
1 |
0 |
0 |
100% |
| tests/mock.py |
MockVoronoiWeights.nn |
1 |
0 |
0 |
100% |
| tests/mock.py |
MockVoronoiWeights.__iter__ |
9 |
1 |
0 |
89% |
| tests/mock.py |
MockVoronoiWeights.saved_fields |
1 |
1 |
0 |
0% |
| tests/mock.py |
MockLCAOWfsReader.__init__ |
2 |
0 |
0 |
100% |
| tests/mock.py |
MockKohnShamRhoWfsReader.__init__ |
17 |
2 |
0 |
88% |
| tests/mock.py |
MockKohnShamRhoWfsReader.iread |
22 |
1 |
0 |
95% |
| tests/mock.py |
MockTimeDensityMatrices.__init__ |
6 |
6 |
0 |
0% |
| tests/mock.py |
MockTimeDensityMatrices.__str__ |
5 |
5 |
0 |
0% |
| tests/mock.py |
MockTimeDensityMatrices.__iter__ |
15 |
15 |
0 |
0% |
| tests/mock.py |
MockTimeDensityMatrices.work_loop |
7 |
7 |
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MockConvolutionDensityMatrices.__init__ |
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MockConvolutionDensityMatrices.__str__ |
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MockConvolutionDensityMatrices.__iter__ |
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| tests/mock.py |
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(no function) |
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test_fourier_frequency_broadening |
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test_fourier_frequency_broadening.calculate |
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test_fourier_transformer_redistribute_max_sizes |
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test_fourier_transformer_redistribute_result_on_ranks |
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(no function) |
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test_pulse_convolver_redistribute_max_sizes |
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test_pulse_convolver_redistribute_result_on_ranks |
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(no function) |
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test_alltoallv |
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(no function) |
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| tests/unittests/density_matrices/readers/test_gpaw.py |
write_reference_data |
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read_ksd |
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assert_orthonormal |
4 |
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_test_read_C_nM |
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_test_read_rho_MM |
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collect_C_nM |
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collect_C_nM_gather_on_root |
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collect_rho_MM |
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collect_rho_MM_gather_on_root |
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collect_rho_nn |
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collect_rho_nn_gather_on_root |
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_test_read_rho_nn |
27 |
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_test_read_rho_nn_against_reference |
19 |
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_test_read_rho_nn_against_reference.read_and_compare |
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| tests/unittests/density_matrices/readers/test_gpaw.py |
test_read_C_nM_strides |
32 |
5 |
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| tests/unittests/density_matrices/readers/test_gpaw.py |
test_read_rho_nn_strides |
32 |
5 |
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84% |
| tests/unittests/density_matrices/readers/test_gpaw.py |
test_read_C_nM_small |
1 |
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| tests/unittests/density_matrices/readers/test_gpaw.py |
test_read_C_nM_big |
1 |
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| tests/unittests/density_matrices/readers/test_gpaw.py |
test_read_rho_MM_small |
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test_read_rho_MM_big |
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test_read_rho_nn_small |
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| tests/unittests/density_matrices/readers/test_gpaw.py |
test_read_rho_nn_big |
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test_read_rho_nn_against_reference_small |
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test_read_rho_nn_against_reference_big |
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test_read_rho_nn_parts |
9 |
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test_read_rho_nn_parts.calc |
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test_prepare_wave_function_readers |
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test_prepare_wave_function_readers.log |
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test_rho0 |
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(no function) |
84 |
2 |
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| tests/unittests/density_matrices/readers/test_numpy.py |
rho_p_from_rho_ia |
5 |
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legacy_write_to_disk_time |
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legacy_write_to_disk_frequencies |
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test_read_write_time |
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test_read_legacy_write_time |
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test_read_write_freq |
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test_read_legacy_write_freq |
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(no function) |
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| tests/unittests/density_matrices/test_exact_convolver.py |
write_frho |
5 |
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test_read_write_time |
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test_concatenate_indices |
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test_parallel_matrix |
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test_partial_format |
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test_format_string_to_regex |
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write_reference_data |
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3 |
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| tests/unittests/test_voronoi.py |
test_weight_nn_against_reference |
15 |
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test_domain |
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| tests/unittests/writers/test_density_writers.py |
load_cube |
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load_ulm |
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compare |
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test_density_time |
16 |
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test_density_frequency |
15 |
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| tests/unittests/writers/test_density_writers.py |
test_density_calc_size |
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20 |
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load_ulm |
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compare |
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compare_known |
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test_energy |
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| tests/unittests/writers/test_energy_writers.py |
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12 |
0 |
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| tests/unittests/writers/test_hcdist_writers.py |
compare |
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0 |
0 |
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| tests/unittests/writers/test_hcdist_writers.py |
compare_known |
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| tests/unittests/writers/test_hcdist_writers.py |
read_header |
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read_header.reader |
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parse_projections |
25 |
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test_hcdist_avg_formats |
47 |
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| tests/unittests/writers/test_hcdist_writers.py |
test_hcdist_formats |
40 |
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| tests/unittests/writers/test_hcdist_writers.py |
test_hctime_formats |
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| tests/unittests/writers/test_hcdist_writers.py |
test_hcpulse_formats |
35 |
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97% |
| tests/unittests/writers/test_hcdist_writers.py |
(no function) |
20 |
0 |
0 |
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| tests/unittests/writers/test_tcm_writers.py |
load_ulm |
2 |
0 |
0 |
100% |
| tests/unittests/writers/test_tcm_writers.py |
compare |
2 |
0 |
0 |
100% |
| tests/unittests/writers/test_tcm_writers.py |
compare_known |
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0 |
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| tests/unittests/writers/test_tcm_writers.py |
test_tcm_time |
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92% |
| tests/unittests/writers/test_tcm_writers.py |
test_tcm_frequency |
12 |
1 |
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92% |
| tests/unittests/writers/test_tcm_writers.py |
(no function) |
14 |
0 |
0 |
100% |