Transform external interface to a modular and extensible design - #579
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Krzmbrzl wants to merge 73 commits into
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Transform external interface to a modular and extensible design#579Krzmbrzl wants to merge 73 commits into
Krzmbrzl wants to merge 73 commits into
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This ensures that the registration is only performed once instead of every time the corresponding header file is included somewhere.
This assertion is doubly wrong in case the symmetrizer is not particle-number conserving. First, because calling rank() on a tensor that has unequal number of bra and ket indices will throw an exception. And second, the code flow up to this point guarantees rank > 1 only in the particle-number conserving case anyway. Hence, even if calling rank() wasn't ill-defined the logic would be flawed.
This gets rid of the unnecessary lambda function (that is only called exactly once and immediately after its declaration) in order to change the control flow to eliminate redundant simplify steps as well as to move the expression expansion up to be the very first step in processing.
The verification code can't properly deal with "partial" symmetrizers (where the number of bra and ket indices differ) as in those cases the symmetrizer doesn't actually contain all external indices but the affected code will think so. Since messing up the external indices in a ResultExpr is somewhat less likely than when specifying the indices on a per-function-call basis, we just disable the verification code in this case.
This object serves as a unique identification of elements in a potentially nested expression tree.
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All processing is now performed in terms of individual processing steps and the flow across those is completely defined in the JSON driver. This replaces the C++ code that drove the processing and only took options from the JSON file.
This changes makes it much simpler to extend the external interface to add new types of processing steps or to adapt existing ones as the required changes will be quite localized to the associated step implementations.