| /builds/debichem-team/python-ase/ase/__init__.py |
6 |
0 |
0 |
100.00% |
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2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/atom.py |
126 |
7 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/atoms.py |
978 |
62 |
0 |
93.66% |
| /builds/debichem-team/python-ase/ase/autoneb.py |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/build/__init__.py |
12 |
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0 |
100.00% |
| /builds/debichem-team/python-ase/ase/build/attach.py |
43 |
6 |
0 |
86.05% |
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204 |
20 |
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90.20% |
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45 |
0 |
0 |
100.00% |
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61 |
10 |
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83.61% |
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13 |
0 |
0 |
100.00% |
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135 |
2 |
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98.52% |
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80 |
29 |
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63.75% |
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71 |
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0 |
100.00% |
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32 |
0 |
0 |
100.00% |
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116 |
23 |
0 |
80.17% |
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239 |
38 |
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84.10% |
| /builds/debichem-team/python-ase/ase/build/surfaces_with_termination.py |
79 |
1 |
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98.73% |
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211 |
57 |
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72.99% |
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119 |
29 |
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75.63% |
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0 |
0 |
0 |
100.00% |
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58 |
2 |
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96.55% |
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52 |
3 |
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94.23% |
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96 |
26 |
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72.92% |
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162 |
10 |
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93.83% |
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123 |
71 |
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42.28% |
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145 |
96 |
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33.79% |
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53 |
0 |
0 |
100.00% |
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545 |
88 |
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83.85% |
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731 |
371 |
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49.25% |
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151 |
21 |
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86.09% |
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207 |
25 |
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87.92% |
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61 |
2 |
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96.72% |
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373 |
70 |
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81.23% |
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272 |
235 |
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13.60% |
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2 |
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0 |
100.00% |
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355 |
210 |
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40.85% |
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23 |
18 |
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21.74% |
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150 |
84 |
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44.00% |
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333 |
80 |
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75.98% |
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275 |
36 |
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86.91% |
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317 |
228 |
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28.08% |
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408 |
70 |
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82.84% |
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31 |
1 |
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96.77% |
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182 |
2 |
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98.90% |
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61 |
2 |
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96.72% |
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73 |
7 |
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90.41% |
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2 |
0 |
0 |
100.00% |
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70 |
11 |
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84.29% |
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35 |
14 |
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60.00% |
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58 |
0 |
0 |
100.00% |
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140 |
30 |
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78.57% |
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2 |
1 |
0 |
50.00% |
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30 |
10 |
0 |
66.67% |
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83 |
48 |
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42.17% |
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127 |
17 |
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86.61% |
| /builds/debichem-team/python-ase/ase/calculators/gromacs.py |
144 |
20 |
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86.11% |
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218 |
163 |
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25.23% |
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123 |
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0 |
100.00% |
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164 |
4 |
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97.56% |
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8 |
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0 |
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3 |
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0 |
100.00% |
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84 |
64 |
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23.81% |
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6 |
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0 |
100.00% |
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46 |
29 |
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36.96% |
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180 |
8 |
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95.56% |
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339 |
82 |
0 |
75.81% |
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189 |
90 |
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52.38% |
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4 |
0 |
0 |
100.00% |
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72 |
3 |
0 |
95.83% |
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100 |
24 |
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76.00% |
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14 |
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100.00% |
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78 |
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0 |
100.00% |
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288 |
75 |
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73.96% |
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211 |
26 |
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87.68% |
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69 |
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0 |
100.00% |
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131 |
34 |
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74.05% |
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75 |
7 |
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90.67% |
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187 |
27 |
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85.56% |
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43 |
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0 |
100.00% |
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17 |
6 |
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64.71% |
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46 |
13 |
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71.74% |
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54 |
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75.93% |
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43 |
25 |
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41.86% |
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3 |
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100.00% |
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2 |
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100.00% |
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284 |
271 |
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4.58% |
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450 |
327 |
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27.33% |
| /builds/debichem-team/python-ase/ase/calculators/openmx/parameters.py |
32 |
5 |
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84.38% |
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465 |
169 |
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63.66% |
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328 |
280 |
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14.63% |
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34 |
16 |
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52.94% |
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118 |
12 |
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89.83% |
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4 |
0 |
0 |
100.00% |
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113 |
95 |
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15.93% |
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83 |
38 |
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54.22% |
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455 |
41 |
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90.99% |
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2 |
0 |
0 |
100.00% |
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95 |
7 |
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92.63% |
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36 |
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100.00% |
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374 |
69 |
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81.55% |
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56 |
45 |
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19.64% |
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206 |
42 |
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79.61% |
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396 |
36 |
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90.91% |
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197 |
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91.37% |
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123 |
13 |
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89.43% |
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123 |
2 |
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98.37% |
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137 |
4 |
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3 |
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100.00% |
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14 |
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0 |
100.00% |
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294 |
179 |
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39.12% |
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564 |
509 |
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9.75% |
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431 |
314 |
0 |
27.15% |
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16 |
13 |
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18.75% |
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5 |
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0 |
100.00% |
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616 |
196 |
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68.18% |
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92 |
73 |
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20.65% |
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5 |
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0 |
100.00% |
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676 |
396 |
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41.42% |
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6 |
1 |
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83.33% |
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195 |
137 |
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29.74% |
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1 |
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0 |
100.00% |
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181 |
23 |
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87.29% |
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141 |
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100.00% |
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0 |
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0 |
100.00% |
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26 |
2 |
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92.31% |
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102 |
42 |
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58.82% |
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49 |
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16.33% |
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51 |
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76.47% |
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72.13% |
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38 |
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90 |
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85.56% |
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37 |
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32 |
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93.75% |
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73 |
58 |
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20.55% |
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73 |
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86.30% |
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69 |
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20 |
9 |
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55.00% |
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37 |
28 |
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24.32% |
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15 |
9 |
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40.00% |
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46 |
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76.09% |
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161 |
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82.61% |
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200 |
12 |
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94.00% |
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17 |
7 |
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58.82% |
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8 |
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100.00% |
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87 |
40 |
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51 |
30 |
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41.18% |
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6 |
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28 |
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32 |
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151 |
30 |
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80.13% |
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43 |
10 |
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76.74% |
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57 |
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98.25% |
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17 |
3 |
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82.35% |
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14 |
4 |
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71.43% |
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99 |
48 |
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138 |
33 |
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76.09% |
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4 |
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45 |
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97.78% |
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44 |
37 |
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90 |
36 |
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60.00% |
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1219 |
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14 |
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1 |
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3 |
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39 |
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30.77% |
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2 |
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100.00% |
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15 |
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23 |
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26.09% |
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14 |
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92.86% |
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22 |
5 |
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77.27% |
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104 |
18 |
0 |
82.69% |
| /builds/debichem-team/python-ase/ase/data/s22.py |
80 |
54 |
0 |
32.50% |
| /builds/debichem-team/python-ase/ase/data/vdw.py |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/data/vdw_alvarez.py |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/__init__.py |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/db/app.py |
86 |
14 |
0 |
83.72% |
| /builds/debichem-team/python-ase/ase/db/cli.py |
244 |
92 |
0 |
62.30% |
| /builds/debichem-team/python-ase/ase/db/convert.py |
46 |
38 |
0 |
17.39% |
| /builds/debichem-team/python-ase/ase/db/core.py |
388 |
56 |
0 |
85.57% |
| /builds/debichem-team/python-ase/ase/db/jsondb.py |
175 |
15 |
0 |
91.43% |
| /builds/debichem-team/python-ase/ase/db/mysql.py |
134 |
5 |
0 |
96.27% |
| /builds/debichem-team/python-ase/ase/db/postgresql.py |
138 |
12 |
0 |
91.30% |
| /builds/debichem-team/python-ase/ase/db/project.py |
47 |
1 |
0 |
97.87% |
| /builds/debichem-team/python-ase/ase/db/row.py |
221 |
16 |
0 |
92.76% |
| /builds/debichem-team/python-ase/ase/db/sqlite.py |
557 |
55 |
0 |
90.13% |
| /builds/debichem-team/python-ase/ase/db/table.py |
142 |
14 |
0 |
90.14% |
| /builds/debichem-team/python-ase/ase/db/web.py |
107 |
29 |
0 |
72.90% |
| /builds/debichem-team/python-ase/ase/dependencies.py |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/__init__.py |
15 |
1 |
0 |
93.33% |
| /builds/debichem-team/python-ase/ase/dft/band_structure.py |
7 |
2 |
0 |
71.43% |
| /builds/debichem-team/python-ase/ase/dft/bandgap.py |
130 |
16 |
0 |
87.69% |
| /builds/debichem-team/python-ase/ase/dft/bee.py |
110 |
10 |
0 |
90.91% |
| /builds/debichem-team/python-ase/ase/dft/bz.py |
188 |
11 |
0 |
94.15% |
| /builds/debichem-team/python-ase/ase/dft/dos.py |
136 |
28 |
0 |
79.41% |
| /builds/debichem-team/python-ase/ase/dft/kpoints.py |
343 |
46 |
0 |
86.59% |
| /builds/debichem-team/python-ase/ase/dft/pars_beefvdw.py |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/pars_mbeef.py |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/pars_mbeefvdw.py |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/dft/stm.py |
162 |
28 |
0 |
82.72% |
| /builds/debichem-team/python-ase/ase/dft/wannier.py |
554 |
228 |
0 |
58.84% |
| /builds/debichem-team/python-ase/ase/dft/wannierstate.py |
58 |
21 |
0 |
63.79% |
| /builds/debichem-team/python-ase/ase/dimer.py |
16 |
3 |
0 |
81.25% |
| /builds/debichem-team/python-ase/ase/dyneb.py |
6 |
1 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/eos.py |
194 |
70 |
0 |
63.92% |
| /builds/debichem-team/python-ase/ase/filters.py |
298 |
41 |
0 |
86.24% |
| /builds/debichem-team/python-ase/ase/formula.py |
268 |
23 |
0 |
91.42% |
| /builds/debichem-team/python-ase/ase/ga/__init__.py |
22 |
12 |
0 |
45.45% |
| /builds/debichem-team/python-ase/ase/ga/bulk_crossovers.py |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/bulk_mutations.py |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/bulk_startgenerator.py |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/bulk_utilities.py |
1 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/convergence.py |
53 |
39 |
0 |
26.42% |
| /builds/debichem-team/python-ase/ase/ga/cutandsplicepairing.py |
214 |
21 |
0 |
90.19% |
| /builds/debichem-team/python-ase/ase/ga/data.py |
225 |
49 |
0 |
78.22% |
| /builds/debichem-team/python-ase/ase/ga/element_crossovers.py |
71 |
16 |
0 |
77.46% |
| /builds/debichem-team/python-ase/ase/ga/element_mutations.py |
269 |
65 |
0 |
75.84% |
| /builds/debichem-team/python-ase/ase/ga/multiprocessingrun.py |
27 |
19 |
0 |
29.63% |
| /builds/debichem-team/python-ase/ase/ga/offspring_creator.py |
61 |
11 |
0 |
81.97% |
| /builds/debichem-team/python-ase/ase/ga/ofp_comparator.py |
306 |
152 |
0 |
50.33% |
| /builds/debichem-team/python-ase/ase/ga/parallellocalrun.py |
47 |
38 |
0 |
19.15% |
| /builds/debichem-team/python-ase/ase/ga/particle_comparator.py |
24 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/ga/particle_crossovers.py |
115 |
30 |
0 |
73.91% |
| /builds/debichem-team/python-ase/ase/ga/particle_mutations.py |
277 |
66 |
0 |
76.17% |
| /builds/debichem-team/python-ase/ase/ga/pbs_queue_run.py |
62 |
51 |
0 |
17.74% |
| /builds/debichem-team/python-ase/ase/ga/population.py |
527 |
388 |
0 |
26.38% |
| /builds/debichem-team/python-ase/ase/ga/relax_attaches.py |
36 |
28 |
0 |
22.22% |
| /builds/debichem-team/python-ase/ase/ga/slab_operators.py |
330 |
104 |
0 |
68.48% |
| /builds/debichem-team/python-ase/ase/ga/soft_mutation.py |
245 |
24 |
0 |
90.20% |
| /builds/debichem-team/python-ase/ase/ga/standard_comparators.py |
110 |
14 |
0 |
87.27% |
| /builds/debichem-team/python-ase/ase/ga/standardmutations.py |
374 |
97 |
0 |
74.06% |
| /builds/debichem-team/python-ase/ase/ga/startgenerator.py |
207 |
10 |
0 |
95.17% |
| /builds/debichem-team/python-ase/ase/ga/utilities.py |
315 |
141 |
0 |
55.24% |
| /builds/debichem-team/python-ase/ase/geometry/__init__.py |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/analysis.py |
262 |
77 |
0 |
70.61% |
| /builds/debichem-team/python-ase/ase/geometry/bravais_type_engine.py |
74 |
8 |
0 |
89.19% |
| /builds/debichem-team/python-ase/ase/geometry/cell.py |
93 |
11 |
0 |
88.17% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/__init__.py |
3 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/bond_generator.py |
28 |
1 |
0 |
96.43% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/disjoint_set.py |
41 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/interval_analysis.py |
68 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/isolation.py |
152 |
1 |
0 |
99.34% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/rank_determination.py |
118 |
1 |
0 |
99.15% |
| /builds/debichem-team/python-ase/ase/geometry/dimensionality/topology_scaling.py |
43 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/distance.py |
40 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/geometry/geometry.py |
205 |
5 |
0 |
97.56% |
| /builds/debichem-team/python-ase/ase/geometry/minkowski_reduction.py |
131 |
4 |
0 |
96.95% |
| /builds/debichem-team/python-ase/ase/geometry/rdf.py |
66 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/__init__.py |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/add.py |
96 |
39 |
0 |
59.38% |
| /builds/debichem-team/python-ase/ase/gui/ag.py |
50 |
22 |
0 |
56.00% |
| /builds/debichem-team/python-ase/ase/gui/celleditor.py |
102 |
16 |
0 |
84.31% |
| /builds/debichem-team/python-ase/ase/gui/clipboard.py |
20 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/colors.py |
105 |
19 |
0 |
81.90% |
| /builds/debichem-team/python-ase/ase/gui/constraints.py |
19 |
5 |
0 |
73.68% |
| /builds/debichem-team/python-ase/ase/gui/defaults.py |
9 |
1 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/gui/graphs.py |
57 |
32 |
0 |
43.86% |
| /builds/debichem-team/python-ase/ase/gui/gui.py |
334 |
116 |
0 |
65.27% |
| /builds/debichem-team/python-ase/ase/gui/i18n.py |
7 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/gui/images.py |
281 |
81 |
0 |
71.17% |
| /builds/debichem-team/python-ase/ase/gui/modify.py |
46 |
2 |
0 |
95.65% |
| /builds/debichem-team/python-ase/ase/gui/movie.py |
63 |
24 |
0 |
61.90% |
| /builds/debichem-team/python-ase/ase/gui/nanoparticle.py |
291 |
62 |
0 |
78.69% |
| /builds/debichem-team/python-ase/ase/gui/nanotube.py |
50 |
1 |
0 |
98.00% |
| /builds/debichem-team/python-ase/ase/gui/pipe.py |
23 |
19 |
0 |
17.39% |
| /builds/debichem-team/python-ase/ase/gui/quickinfo.py |
79 |
22 |
0 |
72.15% |
| /builds/debichem-team/python-ase/ase/gui/render.py |
106 |
14 |
0 |
86.79% |
| /builds/debichem-team/python-ase/ase/gui/repeat.py |
22 |
1 |
0 |
95.45% |
| /builds/debichem-team/python-ase/ase/gui/rotate.py |
22 |
3 |
0 |
86.36% |
| /builds/debichem-team/python-ase/ase/gui/save.py |
49 |
10 |
0 |
79.59% |
| /builds/debichem-team/python-ase/ase/gui/settings.py |
50 |
19 |
0 |
62.00% |
| /builds/debichem-team/python-ase/ase/gui/status.py |
97 |
27 |
0 |
72.16% |
| /builds/debichem-team/python-ase/ase/gui/surfaceslab.py |
147 |
43 |
0 |
70.75% |
| /builds/debichem-team/python-ase/ase/gui/ui.py |
448 |
40 |
0 |
91.07% |
| /builds/debichem-team/python-ase/ase/gui/utils.py |
5 |
1 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/gui/view.py |
492 |
180 |
0 |
63.41% |
| /builds/debichem-team/python-ase/ase/gui/widgets.py |
62 |
14 |
0 |
77.42% |
| /builds/debichem-team/python-ase/ase/io/__init__.py |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/abinit.py |
477 |
70 |
0 |
85.32% |
| /builds/debichem-team/python-ase/ase/io/acemolecule.py |
72 |
1 |
0 |
98.61% |
| /builds/debichem-team/python-ase/ase/io/aff.py |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/aims.py |
807 |
56 |
0 |
93.06% |
| /builds/debichem-team/python-ase/ase/io/amber.py |
89 |
12 |
0 |
86.52% |
| /builds/debichem-team/python-ase/ase/io/animation.py |
11 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/bader.py |
42 |
7 |
0 |
83.33% |
| /builds/debichem-team/python-ase/ase/io/bundlemanipulate.py |
122 |
114 |
0 |
6.56% |
| /builds/debichem-team/python-ase/ase/io/bundletrajectory.py |
576 |
149 |
0 |
74.13% |
| /builds/debichem-team/python-ase/ase/io/bytes.py |
19 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/castep/__init__.py |
691 |
344 |
0 |
50.22% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_input_file.py |
289 |
62 |
0 |
78.55% |
| /builds/debichem-team/python-ase/ase/io/castep/castep_reader.py |
337 |
30 |
0 |
91.10% |
| /builds/debichem-team/python-ase/ase/io/cfg.py |
164 |
36 |
0 |
78.05% |
| /builds/debichem-team/python-ase/ase/io/cif.py |
491 |
45 |
0 |
90.84% |
| /builds/debichem-team/python-ase/ase/io/cif_unicode.py |
36 |
4 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/io/cjson.py |
29 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/cmdft.py |
16 |
11 |
0 |
31.25% |
| /builds/debichem-team/python-ase/ase/io/cp2k.py |
155 |
16 |
0 |
89.68% |
| /builds/debichem-team/python-ase/ase/io/crystal.py |
66 |
14 |
0 |
78.79% |
| /builds/debichem-team/python-ase/ase/io/cube.py |
103 |
11 |
0 |
89.32% |
| /builds/debichem-team/python-ase/ase/io/dacapo.py |
35 |
28 |
0 |
20.00% |
| /builds/debichem-team/python-ase/ase/io/db.py |
30 |
4 |
0 |
86.67% |
| /builds/debichem-team/python-ase/ase/io/dftb.py |
127 |
9 |
0 |
92.91% |
| /builds/debichem-team/python-ase/ase/io/dlp4.py |
147 |
16 |
0 |
89.12% |
| /builds/debichem-team/python-ase/ase/io/dmol.py |
154 |
9 |
0 |
94.16% |
| /builds/debichem-team/python-ase/ase/io/elk.py |
256 |
35 |
0 |
86.33% |
| /builds/debichem-team/python-ase/ase/io/eon.py |
109 |
5 |
0 |
95.41% |
| /builds/debichem-team/python-ase/ase/io/eps.py |
44 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso.py |
868 |
195 |
0 |
77.53% |
| /builds/debichem-team/python-ase/ase/io/espresso_namelist/__init__.py |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso_namelist/keys.py |
36 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/espresso_namelist/namelist.py |
64 |
3 |
0 |
95.31% |
| /builds/debichem-team/python-ase/ase/io/exciting.py |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/extxyz.py |
525 |
95 |
0 |
81.90% |
| /builds/debichem-team/python-ase/ase/io/findsym.py |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/formats.py |
544 |
57 |
0 |
89.52% |
| /builds/debichem-team/python-ase/ase/io/gamess_us.py |
176 |
115 |
0 |
34.66% |
| /builds/debichem-team/python-ase/ase/io/gaussian.py |
635 |
30 |
0 |
95.28% |
| /builds/debichem-team/python-ase/ase/io/gen.py |
78 |
6 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/io/gpaw_out.py |
209 |
35 |
0 |
83.25% |
| /builds/debichem-team/python-ase/ase/io/gpumd.py |
118 |
11 |
0 |
90.68% |
| /builds/debichem-team/python-ase/ase/io/gpw.py |
59 |
52 |
0 |
11.86% |
| /builds/debichem-team/python-ase/ase/io/gromacs.py |
112 |
11 |
0 |
90.18% |
| /builds/debichem-team/python-ase/ase/io/gromos.py |
86 |
4 |
0 |
95.35% |
| /builds/debichem-team/python-ase/ase/io/jsonio.py |
110 |
12 |
0 |
89.09% |
| /builds/debichem-team/python-ase/ase/io/jsv.py |
107 |
18 |
0 |
83.18% |
| /builds/debichem-team/python-ase/ase/io/lammpsdata.py |
338 |
20 |
0 |
94.08% |
| /builds/debichem-team/python-ase/ase/io/lammpsrun.py |
210 |
26 |
0 |
87.62% |
| /builds/debichem-team/python-ase/ase/io/magres.py |
310 |
48 |
0 |
84.52% |
| /builds/debichem-team/python-ase/ase/io/mol.py |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/mustem.py |
109 |
5 |
0 |
95.41% |
| /builds/debichem-team/python-ase/ase/io/netcdftrajectory.py |
359 |
61 |
0 |
83.01% |
| /builds/debichem-team/python-ase/ase/io/nomad_json.py |
8 |
1 |
0 |
87.50% |
| /builds/debichem-team/python-ase/ase/io/nwchem/__init__.py |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader.py |
272 |
94 |
0 |
65.44% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwreader_in.py |
72 |
14 |
0 |
80.56% |
| /builds/debichem-team/python-ase/ase/io/nwchem/nwwriter.py |
284 |
60 |
0 |
78.87% |
| /builds/debichem-team/python-ase/ase/io/nwchem/parser.py |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/__init__.py |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/octopus/input.py |
369 |
272 |
0 |
26.29% |
| /builds/debichem-team/python-ase/ase/io/octopus/output.py |
172 |
4 |
0 |
97.67% |
| /builds/debichem-team/python-ase/ase/io/onetep.py |
567 |
98 |
0 |
82.72% |
| /builds/debichem-team/python-ase/ase/io/opls.py |
500 |
231 |
0 |
53.80% |
| /builds/debichem-team/python-ase/ase/io/orca.py |
117 |
9 |
0 |
92.31% |
| /builds/debichem-team/python-ase/ase/io/pickletrajectory.py |
268 |
62 |
0 |
76.87% |
| /builds/debichem-team/python-ase/ase/io/png.py |
16 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/pov.py |
356 |
72 |
0 |
79.78% |
| /builds/debichem-team/python-ase/ase/io/prismatic.py |
57 |
1 |
0 |
98.25% |
| /builds/debichem-team/python-ase/ase/io/proteindatabank.py |
145 |
13 |
0 |
91.03% |
| /builds/debichem-team/python-ase/ase/io/py.py |
14 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/qbox.py |
90 |
3 |
0 |
96.67% |
| /builds/debichem-team/python-ase/ase/io/res.py |
153 |
8 |
0 |
94.77% |
| /builds/debichem-team/python-ase/ase/io/rmc6f.py |
196 |
10 |
0 |
94.90% |
| /builds/debichem-team/python-ase/ase/io/sdf.py |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/siesta.py |
107 |
29 |
0 |
72.90% |
| /builds/debichem-team/python-ase/ase/io/siesta_input.py |
83 |
27 |
0 |
67.47% |
| /builds/debichem-team/python-ase/ase/io/siesta_output.py |
134 |
3 |
0 |
97.76% |
| /builds/debichem-team/python-ase/ase/io/sys.py |
38 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/trajectory.py |
277 |
28 |
0 |
89.89% |
| /builds/debichem-team/python-ase/ase/io/turbomole.py |
109 |
55 |
0 |
49.54% |
| /builds/debichem-team/python-ase/ase/io/ulm.py |
379 |
36 |
0 |
90.50% |
| /builds/debichem-team/python-ase/ase/io/utils.py |
193 |
15 |
0 |
92.23% |
| /builds/debichem-team/python-ase/ase/io/v_sim.py |
76 |
10 |
0 |
86.84% |
| /builds/debichem-team/python-ase/ase/io/vasp.py |
473 |
44 |
0 |
90.70% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/__init__.py |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/incar_writer.py |
30 |
1 |
0 |
96.67% |
| /builds/debichem-team/python-ase/ase/io/vasp_parsers/vasp_outcar_parsers.py |
462 |
22 |
0 |
95.24% |
| /builds/debichem-team/python-ase/ase/io/vtkxml.py |
75 |
71 |
0 |
5.33% |
| /builds/debichem-team/python-ase/ase/io/wannier90.py |
49 |
3 |
0 |
93.88% |
| /builds/debichem-team/python-ase/ase/io/wien2k.py |
143 |
46 |
0 |
67.83% |
| /builds/debichem-team/python-ase/ase/io/x3d.py |
87 |
1 |
0 |
98.85% |
| /builds/debichem-team/python-ase/ase/io/xsd.py |
166 |
51 |
0 |
69.28% |
| /builds/debichem-team/python-ase/ase/io/xsf.py |
190 |
7 |
0 |
96.32% |
| /builds/debichem-team/python-ase/ase/io/xtd.py |
115 |
37 |
0 |
67.83% |
| /builds/debichem-team/python-ase/ase/io/xyz.py |
28 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/io/zmatrix.py |
129 |
5 |
0 |
96.12% |
| /builds/debichem-team/python-ase/ase/lattice/__init__.py |
742 |
20 |
0 |
97.30% |
| /builds/debichem-team/python-ase/ase/lattice/bravais.py |
287 |
54 |
0 |
81.18% |
| /builds/debichem-team/python-ase/ase/lattice/compounds.py |
31 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/lattice/cubic.py |
62 |
7 |
0 |
88.71% |
| /builds/debichem-team/python-ase/ase/lattice/hexagonal.py |
58 |
15 |
0 |
74.14% |
| /builds/debichem-team/python-ase/ase/lattice/monoclinic.py |
19 |
7 |
0 |
63.16% |
| /builds/debichem-team/python-ase/ase/lattice/orthorhombic.py |
75 |
41 |
0 |
45.33% |
| /builds/debichem-team/python-ase/ase/lattice/tetragonal.py |
18 |
8 |
0 |
55.56% |
| /builds/debichem-team/python-ase/ase/lattice/triclinic.py |
49 |
2 |
0 |
95.92% |
| /builds/debichem-team/python-ase/ase/md/__init__.py |
6 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/analysis.py |
115 |
42 |
0 |
63.48% |
| /builds/debichem-team/python-ase/ase/md/andersen.py |
62 |
2 |
0 |
96.77% |
| /builds/debichem-team/python-ase/ase/md/bussi.py |
31 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/contour_exploration.py |
162 |
6 |
0 |
96.30% |
| /builds/debichem-team/python-ase/ase/md/fix.py |
22 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/langevin.py |
72 |
4 |
0 |
94.44% |
| /builds/debichem-team/python-ase/ase/md/logger.py |
55 |
13 |
0 |
76.36% |
| /builds/debichem-team/python-ase/ase/md/md.py |
46 |
9 |
0 |
80.43% |
| /builds/debichem-team/python-ase/ase/md/nose_hoover_chain.py |
80 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/md/npt.py |
278 |
102 |
0 |
63.31% |
| /builds/debichem-team/python-ase/ase/md/nptberendsen.py |
83 |
30 |
0 |
63.86% |
| /builds/debichem-team/python-ase/ase/md/nvtberendsen.py |
53 |
9 |
0 |
83.02% |
| /builds/debichem-team/python-ase/ase/md/switch_langevin.py |
48 |
4 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/md/velocitydistribution.py |
114 |
20 |
0 |
82.46% |
| /builds/debichem-team/python-ase/ase/md/verlet.py |
17 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/__init__.py |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/autoneb.py |
341 |
85 |
0 |
75.07% |
| /builds/debichem-team/python-ase/ase/mep/dimer.py |
589 |
165 |
0 |
71.99% |
| /builds/debichem-team/python-ase/ase/mep/dyneb.py |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/mep/neb.py |
641 |
106 |
0 |
83.46% |
| /builds/debichem-team/python-ase/ase/neb.py |
19 |
4 |
0 |
78.95% |
| /builds/debichem-team/python-ase/ase/neighborlist.py |
378 |
16 |
0 |
95.77% |
| /builds/debichem-team/python-ase/ase/nomad.py |
79 |
21 |
0 |
73.42% |
| /builds/debichem-team/python-ase/ase/optimize/__init__.py |
13 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/basin.py |
86 |
2 |
0 |
97.67% |
| /builds/debichem-team/python-ase/ase/optimize/bfgs.py |
86 |
19 |
0 |
77.91% |
| /builds/debichem-team/python-ase/ase/optimize/bfgslinesearch.py |
138 |
22 |
0 |
84.06% |
| /builds/debichem-team/python-ase/ase/optimize/cellawarebfgs.py |
70 |
1 |
0 |
98.57% |
| /builds/debichem-team/python-ase/ase/optimize/climbfixinternals.py |
67 |
1 |
0 |
98.51% |
| /builds/debichem-team/python-ase/ase/optimize/fire.py |
85 |
6 |
0 |
92.94% |
| /builds/debichem-team/python-ase/ase/optimize/fire2.py |
67 |
3 |
0 |
95.52% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/__init__.py |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gp.py |
65 |
30 |
0 |
53.85% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/gpmin.py |
123 |
37 |
0 |
69.92% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/kernel.py |
80 |
23 |
0 |
71.25% |
| /builds/debichem-team/python-ase/ase/optimize/gpmin/prior.py |
34 |
9 |
0 |
73.53% |
| /builds/debichem-team/python-ase/ase/optimize/lbfgs.py |
122 |
24 |
0 |
80.33% |
| /builds/debichem-team/python-ase/ase/optimize/mdmin.py |
32 |
1 |
0 |
96.88% |
| /builds/debichem-team/python-ase/ase/optimize/minimahopping.py |
502 |
213 |
0 |
57.57% |
| /builds/debichem-team/python-ase/ase/optimize/ode.py |
92 |
13 |
0 |
85.87% |
| /builds/debichem-team/python-ase/ase/optimize/oldqn.py |
266 |
74 |
0 |
72.18% |
| /builds/debichem-team/python-ase/ase/optimize/optimize.py |
172 |
9 |
0 |
94.77% |
| /builds/debichem-team/python-ase/ase/optimize/precon/__init__.py |
10 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/optimize/precon/fire.py |
115 |
17 |
0 |
85.22% |
| /builds/debichem-team/python-ase/ase/optimize/precon/lbfgs.py |
189 |
26 |
0 |
86.24% |
| /builds/debichem-team/python-ase/ase/optimize/precon/neighbors.py |
37 |
1 |
0 |
97.30% |
| /builds/debichem-team/python-ase/ase/optimize/precon/precon.py |
675 |
100 |
0 |
85.19% |
| /builds/debichem-team/python-ase/ase/optimize/sciopt.py |
107 |
34 |
0 |
68.22% |
| /builds/debichem-team/python-ase/ase/outputs.py |
101 |
2 |
0 |
98.02% |
| /builds/debichem-team/python-ase/ase/parallel.py |
224 |
114 |
0 |
49.11% |
| /builds/debichem-team/python-ase/ase/phasediagram.py |
370 |
117 |
0 |
68.38% |
| /builds/debichem-team/python-ase/ase/phonons.py |
333 |
57 |
0 |
82.88% |
| /builds/debichem-team/python-ase/ase/pourbaix.py |
399 |
23 |
0 |
94.24% |
| /builds/debichem-team/python-ase/ase/quaternions.py |
144 |
32 |
0 |
77.78% |
| /builds/debichem-team/python-ase/ase/spacegroup/__init__.py |
5 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/crystal_data.py |
28 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spacegroup/spacegroup.py |
424 |
34 |
0 |
91.98% |
| /builds/debichem-team/python-ase/ase/spacegroup/symmetrize.py |
126 |
10 |
0 |
92.06% |
| /builds/debichem-team/python-ase/ase/spacegroup/utils.py |
61 |
6 |
0 |
90.16% |
| /builds/debichem-team/python-ase/ase/spacegroup/xtal.py |
75 |
5 |
0 |
93.33% |
| /builds/debichem-team/python-ase/ase/spectrum/__init__.py |
0 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/spectrum/band_structure.py |
185 |
29 |
0 |
84.32% |
| /builds/debichem-team/python-ase/ase/spectrum/doscollection.py |
185 |
4 |
0 |
97.84% |
| /builds/debichem-team/python-ase/ase/spectrum/dosdata.py |
152 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/stress.py |
43 |
7 |
0 |
83.72% |
| /builds/debichem-team/python-ase/ase/symbols.py |
102 |
4 |
0 |
96.08% |
| /builds/debichem-team/python-ase/ase/thermochemistry.py |
415 |
24 |
0 |
94.22% |
| /builds/debichem-team/python-ase/ase/transport/__init__.py |
2 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/transport/calculators.py |
266 |
106 |
0 |
60.15% |
| /builds/debichem-team/python-ase/ase/transport/greenfunction.py |
40 |
7 |
0 |
82.50% |
| /builds/debichem-team/python-ase/ase/transport/selfenergy.py |
56 |
10 |
0 |
82.14% |
| /builds/debichem-team/python-ase/ase/transport/stm.py |
110 |
99 |
0 |
10.00% |
| /builds/debichem-team/python-ase/ase/transport/tools.py |
46 |
6 |
0 |
86.96% |
| /builds/debichem-team/python-ase/ase/units.py |
48 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/__init__.py |
384 |
61 |
0 |
84.11% |
| /builds/debichem-team/python-ase/ase/utils/abc.py |
25 |
5 |
0 |
80.00% |
| /builds/debichem-team/python-ase/ase/utils/arraywrapper.py |
38 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/cext.py |
14 |
6 |
0 |
57.14% |
| /builds/debichem-team/python-ase/ase/utils/checkimports.py |
46 |
15 |
0 |
67.39% |
| /builds/debichem-team/python-ase/ase/utils/cube.py |
39 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/deltacodesdft.py |
14 |
11 |
0 |
21.43% |
| /builds/debichem-team/python-ase/ase/utils/ff.py |
615 |
253 |
0 |
58.86% |
| /builds/debichem-team/python-ase/ase/utils/filecache.py |
196 |
8 |
0 |
95.92% |
| /builds/debichem-team/python-ase/ase/utils/forcecurve.py |
117 |
25 |
0 |
78.63% |
| /builds/debichem-team/python-ase/ase/utils/linesearch.py |
239 |
39 |
0 |
83.68% |
| /builds/debichem-team/python-ase/ase/utils/linesearcharmijo.py |
158 |
61 |
0 |
61.39% |
| /builds/debichem-team/python-ase/ase/utils/parsemath.py |
94 |
14 |
0 |
85.11% |
| /builds/debichem-team/python-ase/ase/utils/plotting.py |
24 |
2 |
0 |
91.67% |
| /builds/debichem-team/python-ase/ase/utils/plugins.py |
15 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/ptable.py |
25 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/utils/structure_comparator.py |
293 |
14 |
0 |
95.22% |
| /builds/debichem-team/python-ase/ase/utils/timing.py |
112 |
16 |
0 |
85.71% |
| /builds/debichem-team/python-ase/ase/utils/xrdebye.py |
125 |
22 |
0 |
82.40% |
| /builds/debichem-team/python-ase/ase/vibrations/__init__.py |
4 |
0 |
0 |
100.00% |
| /builds/debichem-team/python-ase/ase/vibrations/albrecht.py |
285 |
29 |
0 |
89.82% |
| /builds/debichem-team/python-ase/ase/vibrations/data.py |
180 |
3 |
0 |
98.33% |
| /builds/debichem-team/python-ase/ase/vibrations/franck_condon.py |
242 |
9 |
0 |
96.28% |
| /builds/debichem-team/python-ase/ase/vibrations/infrared.py |
127 |
63 |
0 |
50.39% |
| /builds/debichem-team/python-ase/ase/vibrations/pickle2json.py |
32 |
6 |
0 |
81.25% |
| /builds/debichem-team/python-ase/ase/vibrations/placzek.py |
96 |
3 |
0 |
96.88% |
| /builds/debichem-team/python-ase/ase/vibrations/raman.py |
190 |
20 |
0 |
89.47% |
| /builds/debichem-team/python-ase/ase/vibrations/resonant_raman.py |
311 |
108 |
0 |
65.27% |
| /builds/debichem-team/python-ase/ase/vibrations/vibrations.py |
288 |
30 |
0 |
89.58% |
| /builds/debichem-team/python-ase/ase/visualize/__init__.py |
12 |
4 |
0 |
66.67% |
| /builds/debichem-team/python-ase/ase/visualize/mlab.py |
76 |
65 |
0 |
14.47% |
| /builds/debichem-team/python-ase/ase/visualize/ngl.py |
57 |
49 |
0 |
14.04% |
| /builds/debichem-team/python-ase/ase/visualize/paraview_script.py |
19 |
17 |
0 |
10.53% |
| /builds/debichem-team/python-ase/ase/visualize/plot.py |
36 |
4 |
0 |
88.89% |
| /builds/debichem-team/python-ase/ase/visualize/sage.py |
18 |
14 |
0 |
22.22% |
| /builds/debichem-team/python-ase/ase/visualize/viewers.py |
123 |
21 |
0 |
82.93% |
| /builds/debichem-team/python-ase/ase/visualize/x3d.py |
18 |
11 |
0 |
38.89% |