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@@ Coverage Diff @@
## development #166 +/- ##
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+ Coverage 57.42% 59.19% +1.76%
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Files 35 35
Lines 7392 7894 +502
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+ Hits 4245 4673 +428
- Misses 3147 3221 +74
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YuuuXie
approved these changes
Apr 30, 2020
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As mentioned in #165, the multi-element many body kernel should use an independent list for the atomic species in bond_array_mb instead of relying on the etypes for bond_array_2b .
New attribute bond_array_mb_etypes are added to the AtomicEnvironment and the arguments passed to the jit function in mc_simple.py and mc_sephyps.py are slightly modified to get this.
New unit tests for mc_sephyps.py in another branch 2b8e90d will be pulled later.
Close #165