test: Dissolve2 AtomShake unit test #2282
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RobBuchananCompPhys
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One other general comment - for consistence with writing these sorts of tests in code we should use atom indices from 0 - (N-1) and avoid having to subtract one (this might be irrelevant, assuming that the data blocks disappear....)
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Two minor suggestions (first one might break the formatting, so best check if you include it) but looks good to go!
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This PR will probably need to encompass a few developments in order to get a successful porting of the
atomShaketest into Dissolve2 node-graph framework.ConfigurationNode,InsertNode) to ensure that downstream changes such as resetting the temperature of the configuration do not result in the generator steps re-runningatomShakeusing a combination ofSpeciesNode, andAtomicMCNodeinside aLoopGraph