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**Describe the bug**
QMCPACK produces spin-asymmetric results (as seen in the self-healing estimator) from a spin-symmetric wavefunction.
The system is AFM CoO (4 atom cell). A multideterminant…
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Different processes doing in QMC side on Admin area.
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Partial list of functions that use legacy `seed` or `random_state` behavior. Per [SPEC 7](https://scientific-python.org/specs/spec-0007/), we're changing the keyword to `rng`.
Generated mostly by s…
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Hi all,
I think it might be nice at some point in the future to add a "Download all" button to the PP website which downloads all the available pseudos for the currently available elements. Perhaps…
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this code runs but the results are false. the output for single electron density, winding number are 0 and superfluid stiffness is Nan.
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**Describe the bug**
The qc_qmc notebook fails if run as-is with the following stack trace:
```
---------------------------------------------------------------------------
TypeError …
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Hi,
When I try to run the qmc binary from a docker container running on armv8 architecture I get the following error:
```
:/opt/qm/bin$ /opt/qm/bin/qmc.sh --version
qemu-x86_64: Could not open…
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Could you please tell me whether this code runs on Windows system or not? What third-party libraries does it rely on or which is the header file and which is the source file? I have just come into con…
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### Describe your issue.
After looking into Zhou's paper, Scipy made a bit of an error when calculating the discrepancy. The last step needed is to take the square root of the calculation in wrap a…
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Benchmark against QUEST -- is their code tuned faster than ours? https://arxiv.org/abs/2108.08974 has 16x16 results.