| .. | | 21-Oct-2021 | - |
| PC_65_fragments.json | H A D | 21-Oct-2021 | 126.9 KiB | 1 | 1 |
| PC_65_principle.json | H A D | 21-Oct-2021 | 3.4 KiB | 1 | 1 |
| neg_EC_40_fragments.json | H A D | 21-Oct-2021 | 123.9 KiB | 1 | 1 |
| neg_EC_40_principle.json | H A D | 21-Oct-2021 | 2.6 KiB | 1 | 1 |
| neg_TFSI_fragments.json | H A D | 21-Oct-2021 | 38.7 KiB | 1 | 1 |
| neg_TFSI_principle.json | H A D | 21-Oct-2021 | 4 KiB | 1 | 1 |
| pc_frag1_mg.json | H A D | 21-Oct-2021 | 1.8 KiB | 1 | 1 |
| pc_mg.json | H A D | 21-Oct-2021 | 4.1 KiB | 1 | 1 |
| pdentries_test.csv | H A D | 21-Oct-2021 | 13.7 KiB | 494 | 493 |
| reaction_entries_test.csv | H A D | 21-Oct-2021 | 13.7 KiB | 383 | 382 |
| surface_samples.json | H A D | 21-Oct-2021 | 149.3 KiB | 709 | 709 |
| test_adsorption.py | H A D | 21-Oct-2021 | 8.5 KiB | 187 | 150 |
| test_bond_dissociation.py | H A D | 21-Oct-2021 | 15.1 KiB | 554 | 538 |
| test_bond_valence.py | H A D | 21-Oct-2021 | 4.3 KiB | 194 | 177 |
| test_chempot_diagram.py | H A D | 21-Oct-2021 | 8.4 KiB | 236 | 202 |
| test_cost.py | H A D | 21-Oct-2021 | 1.5 KiB | 41 | 26 |
| test_dimensionality.py | H A D | 21-Oct-2021 | 7 KiB | 175 | 134 |
| test_energy_models.py | H A D | 21-Oct-2021 | 2.9 KiB | 89 | 66 |
| test_eos.py | H A D | 21-Oct-2021 | 13.7 KiB | 475 | 390 |
| test_ewald.py | H A D | 21-Oct-2021 | 5.7 KiB | 139 | 109 |
| test_fragmenter.py | H A D | 21-Oct-2021 | 6.6 KiB | 173 | 146 |
| test_functional_groups.py | H A D | 21-Oct-2021 | 5 KiB | 141 | 92 |
| test_graphs.py | H A D | 21-Oct-2021 | 37.9 KiB | 982 | 750 |
| test_hhi.py | H A D | 21-Oct-2021 | 890 | 28 | 16 |
| test_interface_reactions.py | H A D | 21-Oct-2021 | 21.8 KiB | 554 | 479 |
| test_local_env.py | H A D | 21-Oct-2021 | 53.2 KiB | 1,513 | 1,269 |
| test_molecule_matcher.py | H A D | 21-Oct-2021 | 30.7 KiB | 838 | 599 |
| test_molecule_structure_comparator.py | H A D | 21-Oct-2021 | 5.8 KiB | 193 | 162 |
| test_nmr.py | H A D | 21-Oct-2021 | 3 KiB | 78 | 60 |
| test_path_finder.py | H A D | 21-Oct-2021 | 2.1 KiB | 66 | 52 |
| test_phase_diagram.py | H A D | 21-Oct-2021 | 30.7 KiB | 811 | 654 |
| test_piezo.py | H A D | 21-Oct-2021 | 2.2 KiB | 72 | 55 |
| test_piezo_sensitivity.py | H A D | 21-Oct-2021 | 14.3 KiB | 348 | 298 |
| test_pourbaix_diagram.py | H A D | 21-Oct-2021 | 12.5 KiB | 313 | 231 |
| test_prototypes.py | H A D | 21-Oct-2021 | 1.4 KiB | 52 | 38 |
| test_quasiharmonic_debye_approx.py | H A D | 21-Oct-2021 | 6.4 KiB | 206 | 183 |
| test_reaction_calculator.py | H A D | 21-Oct-2021 | 21 KiB | 564 | 480 |
| test_structure_analyzer.py | H A D | 21-Oct-2021 | 10.6 KiB | 279 | 230 |
| test_structure_matcher.py | H A D | 21-Oct-2021 | 46.9 KiB | 1,175 | 961 |
| test_surface_analysis.py | H A D | 21-Oct-2021 | 22 KiB | 492 | 338 |
| test_transition_state.py | H A D | 21-Oct-2021 | 3 KiB | 76 | 52 |
| test_wulff.py | H A D | 21-Oct-2021 | 7.3 KiB | 196 | 133 |
| test_xps.py | H A D | 21-Oct-2021 | 485 | 20 | 14 |