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JoonhoLee-Group / ipie

ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.
Apache License 2.0
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FP-AFQMC #172

Open fdmalone opened 1 year ago

fdmalone commented 1 year ago

Moving this to issues.

Discussed in https://github.com/linusjoonho/ipie/discussions/171

Originally posted by **vvp-nsk** October 6, 2022 Hi! I am very sorry to bother you again, but documentation is scarce. The `tools/reblock.py` tool can be used for free projection error analysis on top of multiple simulations. Is it by chance the same approach as one published by Mahajan, A. and S. Sharma in 2021 (_"Taming the Sign Problem in Auxiliary-Field Quantum Monte Carlo Using Accurate Wave Functions." Journal of Chemical Theory and Computation 17(8): 4786-4798)_? If so, can you please give a hint/command-line on how to use it? Thank you in advance! With best regards, Victor
fdmalone commented 1 year ago

No, free projection here refers to free projection in the traditional sense of open-ended random walk style AFQMC. See. Currently free projection is not enabled so the blocking script is out of date. The Dice code implements the method in the paper above.

fdmalone commented 1 year ago

Please just open issues in future, discussions are less visible. Thanks!