Implement functions to manipulate second quantized operators

fevangelista commented 1 month ago

Description

Add functionality to manipulate general strings of second quantized operators together with tests. See the updated tutorial (1.03) for examples.

User Notes

[x] Improved Python interface and exposed more operations
[x] Implemented similarity transformations
[x] Extends operators and states to the complex case
[x] Cleaned up the structure of the API directory
[x] Moved the srcc Python tests to a separate directory

Checklist

[x] Added pytests of new features
[x] Removed comments in code and input files
[x] Documented source code
[x] Checked for redundant headers
[x] Documented new features in the tutorials
[x] Ready to go!

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JonathonMisiewicz commented 1 week ago

At risk of being difficult, can you double-check the Creating SparseOperator Object section?

The LaTeX render for [1a+ 2b+ 3b- 0a-] seems to encode for [1a+ 2b+ 2b- 0a-]. It isn't clear to me whether I'm just not understanding the syntax, or whether that's a typo.

fevangelista commented 5 days ago

Thanks for the feedback and for catching these issues. I just pushed fixes.

JonathonMisiewicz commented 5 days ago

Great! I'll give this one more pass in the next 24 hours, if you're not in a rush to merge this one in.

evangelistalab / forte