Coverage report: 96.63%

Files Functions Classes

coverage.py v7.6.4, created at 2024-11-08 12:59 +0000

File function statements missing excluded coverage
eminus/__init__.py demo 3 0 0 100.00%
eminus/__init__.py (no function) 9 0 0 100.00%
eminus/atoms.py Atoms.__init__ 14 0 0 100.00%
eminus/atoms.py Atoms.atom 1 0 0 100.00%
eminus/atoms.py Atoms.atom 10 0 0 100.00%
eminus/atoms.py Atoms.pos 1 0 0 100.00%
eminus/atoms.py Atoms.pos 5 2 0 60.00%
eminus/atoms.py Atoms.ecut 1 0 0 100.00%
eminus/atoms.py Atoms.ecut 5 0 0 100.00%
eminus/atoms.py Atoms.a 1 0 0 100.00%
eminus/atoms.py Atoms.a 9 0 0 100.00%
eminus/atoms.py Atoms.spin 1 0 0 100.00%
eminus/atoms.py Atoms.spin 1 0 0 100.00%
eminus/atoms.py Atoms.charge 1 0 0 100.00%
eminus/atoms.py Atoms.charge 1 0 0 100.00%
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eminus/atoms.py Atoms.Natoms 1 0 0 100.00%
eminus/atoms.py Atoms.Ns 1 0 0 100.00%
eminus/atoms.py Atoms.Omega 1 0 0 100.00%
eminus/atoms.py Atoms.r 1 0 0 100.00%
eminus/atoms.py Atoms.active 1 0 0 100.00%
eminus/atoms.py Atoms.G 1 0 0 100.00%
eminus/atoms.py Atoms.G2 1 0 0 100.00%
eminus/atoms.py Atoms.G2c 1 0 0 100.00%
eminus/atoms.py Atoms.Gk2 1 0 0 100.00%
eminus/atoms.py Atoms.Gk2c 1 0 0 100.00%
eminus/atoms.py Atoms.Sf 1 0 0 100.00%
eminus/atoms.py Atoms.dV 1 0 0 100.00%
eminus/atoms.py Atoms._atoms 1 0 0 100.00%
eminus/atoms.py Atoms.build 6 0 0 100.00%
eminus/atoms.py Atoms.recenter 8 0 0 100.00%
eminus/atoms.py Atoms.set_k 10 0 0 100.00%
eminus/atoms.py Atoms.clear 8 0 0 100.00%
eminus/atoms.py Atoms._get_index_matrices 3 0 0 100.00%
eminus/atoms.py Atoms._sample_unit_cell 12 0 0 100.00%
eminus/atoms.py Atoms.__repr__ 4 0 0 100.00%
eminus/atoms.py (no function) 103 0 0 100.00%
eminus/band_minimizer.py scf_step_occ 3 0 0 100.00%
eminus/band_minimizer.py scf_step_unocc 3 0 0 100.00%
eminus/band_minimizer.py get_grad_occ 9 0 0 100.00%
eminus/band_minimizer.py get_grad_unocc 13 0 0 100.00%
eminus/band_minimizer.py sd 12 0 0 100.00%
eminus/band_minimizer.py pclm 25 0 0 100.00%
eminus/band_minimizer.py lm 1 0 0 100.00%
eminus/band_minimizer.py pccg 46 1 0 97.83%
eminus/band_minimizer.py cg 1 0 0 100.00%
eminus/band_minimizer.py auto 51 1 0 98.04%
eminus/band_minimizer.py (no function) 26 0 0 100.00%
eminus/cell.py Cell 27 0 0 100.00%
eminus/cell.py (no function) 6 0 0 100.00%
eminus/config.py ConfigClass.__init__ 5 0 0 100.00%
eminus/config.py ConfigClass.use_torch 7 1 0 85.71%
eminus/config.py ConfigClass.use_torch 1 0 0 100.00%
eminus/config.py ConfigClass.use_gpu 4 2 0 50.00%
eminus/config.py ConfigClass.use_gpu 1 0 0 100.00%
eminus/config.py ConfigClass.use_pylibxc 7 1 0 85.71%
eminus/config.py ConfigClass.use_pylibxc 1 0 0 100.00%
eminus/config.py ConfigClass.threads 9 2 0 77.78%
eminus/config.py ConfigClass.threads 7 2 0 71.43%
eminus/config.py ConfigClass.verbose 1 0 0 100.00%
eminus/config.py ConfigClass.verbose 1 0 0 100.00%
eminus/config.py ConfigClass.info 15 5 0 66.67%
eminus/config.py (no function) 30 0 0 100.00%
eminus/data.py (no function) 7 0 0 100.00%
eminus/dft.py get_phi 1 0 0 100.00%
eminus/dft.py orth 1 0 0 100.00%
eminus/dft.py orth_unocc 7 0 0 100.00%
eminus/dft.py get_n_total 8 0 0 100.00%
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eminus/dft.py get_n_single 5 0 0 100.00%
eminus/dft.py get_grad 11 0 0 100.00%
eminus/dft.py H 11 0 0 100.00%
eminus/dft.py H_precompute 13 0 0 100.00%
eminus/dft.py Q 6 0 0 100.00%
eminus/dft.py get_psi 12 2 0 83.33%
eminus/dft.py get_epsilon 11 2 0 81.82%
eminus/dft.py get_epsilon_unocc 12 2 0 83.33%
eminus/dft.py guess_random 12 0 0 100.00%
eminus/dft.py guess_pseudo 11 2 0 81.82%
eminus/dft.py (no function) 28 0 0 100.00%
eminus/domains.py domain_cuboid 18 0 0 100.00%
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eminus/domains.py domain_sphere 11 0 0 100.00%
eminus/domains.py truncate 3 0 0 100.00%
eminus/domains.py (no function) 9 0 0 100.00%
eminus/energies.py Energy.Etot 1 0 0 100.00%
eminus/energies.py Energy.extrapolate 1 0 0 100.00%
eminus/energies.py Energy.__repr__ 6 0 0 100.00%
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eminus/energies.py get_Exc 4 0 0 100.00%
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eminus/gga.py get_grad_field 8 0 0 100.00%
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eminus/gth.py GTH.__repr__ 1 0 0 100.00%
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eminus/gth.py (no function) 11 0 0 100.00%
eminus/io/__init__.py read 15 4 0 73.33%
eminus/io/__init__.py write 17 4 0 76.47%
eminus/io/__init__.py (no function) 10 0 0 100.00%
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eminus/io/cube.py (no function) 8 0 0 100.00%
eminus/io/gth.py read_gth 54 4 0 92.59%
eminus/io/gth.py mock_gth 1 0 0 100.00%
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eminus/kpoints.py KPoints.path 1 0 0 100.00%
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eminus/kpoints.py get_brillouin_zone 9 0 0 100.00%
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eminus/localizer.py eval_psi 3 0 0 100.00%
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eminus/minimizer.py cg 1 0 0 100.00%
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eminus/occupations.py Occupations.spin 1 0 0 100.00%
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eminus/occupations.py Occupations.charge 1 0 0 100.00%
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eminus/scf.py USCF.atoms 1 0 0 100.00%
eminus/scf.py USCF.atoms 5 0 0 100.00%
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eminus/tools.py get_tauw 9 0 0 100.00%
eminus/tools.py get_elf 4 0 0 100.00%
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eminus/units.py d2ebohr 1 0 0 100.00%
eminus/units.py rad2deg 1 0 0 100.00%
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eminus/utils.py molecule2list 7 0 0 100.00%
eminus/utils.py atom2charge 7 0 0 100.00%
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eminus/xc/gga_x_pbe.py pbe_x_base 16 0 0 100.00%
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eminus/xc/gga_x_pbe_sol.py (no function) 3 0 0 100.00%
eminus/xc/lda_c_chachiyo.py lda_c_chachiyo 8 0 0 100.00%
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eminus/xc/lda_c_chachiyo.py lda_c_chachiyo_spin 21 0 0 100.00%
eminus/xc/lda_c_chachiyo.py (no function) 4 0 0 100.00%
eminus/xc/lda_c_chachiyo_mod.py lda_c_chachiyo_mod 1 0 0 100.00%
eminus/xc/lda_c_chachiyo_mod.py chachiyo_scaling_mod 4 0 0 100.00%
eminus/xc/lda_c_chachiyo_mod.py lda_c_chachiyo_mod_spin 1 0 0 100.00%
eminus/xc/lda_c_chachiyo_mod.py (no function) 4 0 0 100.00%
eminus/xc/lda_c_pw.py lda_c_pw 10 0 0 100.00%
eminus/xc/lda_c_pw.py lda_c_pw_spin 20 0 0 100.00%
eminus/xc/lda_c_pw.py (no function) 3 0 0 100.00%
eminus/xc/lda_c_pw_mod.py lda_c_pw_mod 1 0 0 100.00%
eminus/xc/lda_c_pw_mod.py lda_c_pw_mod_spin 1 0 0 100.00%
eminus/xc/lda_c_pw_mod.py (no function) 3 0 0 100.00%
eminus/xc/lda_c_vwn.py lda_c_vwn 12 0 0 100.00%
eminus/xc/lda_c_vwn.py lda_c_vwn_spin 19 0 0 100.00%
eminus/xc/lda_c_vwn.py (no function) 3 0 0 100.00%
eminus/xc/lda_x.py lda_x 5 0 0 100.00%
eminus/xc/lda_x.py lda_x_spin 9 0 0 100.00%
eminus/xc/lda_x.py (no function) 3 0 0 100.00%
eminus/xc/utils.py get_xc 16 0 0 100.00%
eminus/xc/utils.py get_xc.handle_functional 19 0 0 100.00%
eminus/xc/utils.py get_exc 2 0 0 100.00%
eminus/xc/utils.py get_vxc 2 0 0 100.00%
eminus/xc/utils.py parse_functionals 20 3 0 85.00%
eminus/xc/utils.py parse_xc_type 25 2 0 92.00%
eminus/xc/utils.py parse_xc_libxc 10 8 0 20.00%
eminus/xc/utils.py parse_xc_pyscf 13 3 0 76.92%
eminus/xc/utils.py get_xc_defaults 27 11 0 59.26%
eminus/xc/utils.py get_zeta 3 0 0 100.00%
eminus/xc/utils.py mock_xc 2 0 0 100.00%
eminus/xc/utils.py (no function) 31 0 0 100.00%
Total   3828 129 40 96.63%

No items found using the specified filter.