BaseLammpsCalculation: Add the script input
#59
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This allows a user to pass a complete input script that should be used as-is. The `structure`, `potential` and `parameters` inputs are completely optional in this case. This gives ultimate flexibility to a user to run whatever they want in exchange for queryability.
sphuber
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@@ Coverage Diff @@
## develop #59 +/- ##
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+ Coverage 90.24% 90.27% +0.03%
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Files 32 32
Lines 2408 2416 +8
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+ Hits 2173 2181 +8
Misses 235 235
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This looks good @sphuber ! Sorry for the delay in approving it, I have been sick the entire last week. |
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No problem, thanks for the review! |
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Fixes #55
This allows a user to pass a complete input script that should be used as-is. The
structure,potentialandparametersinputs are completely optional in this case. This gives ultimate flexibility to a user to run whatever they want in exchange for queryability.