infretis / infretis / 11323785773
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Jobs 1
Files 24
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coverage: 66.373%. Remained the same
11323785773

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bug fix cp2k mass guessing (#116)

When we have non-elemental atom names such as 'C1' in the .xyz file
we use the mass of hydrogen. This causes the temperature to be completely off.

0 of 2 new or added lines in 1 file covered. (0.0%)

2943 of 4434 relevant lines covered (66.37%)

0.66 hits per line

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ID Job ID Ran Files Coverage
1 11323785773.1 0
66.37
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