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**Describe the bug**
When using `eigsh` with the `sigma` method, for large enough systems, I believe I found that a memory leak occurs. I don't know how to do more exact diagnostics; when my system s…
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**Description of bug**
When I try the following script for getting the low energy spectrum of a 4-site S=1/2 Heisenberg model with custom topology, the DMRG with projection generates an (excited) ene…
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Hello,
I am writing because I have a mismatch index problem. For example, for Cesium atom with `n1=29`, `l1=3`, `j1=3.5`, and `mj1=0.5`, when I run the following calculation example
```pytho…
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[Graph Convolutional Networks](http://tkipf.github.io/graph-convolutional-networks/).
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This simple example constructs the transverse field Ising model using the PauliStrings operator. Exact diagonalization returns the right answer, but the vmc method does not (using the v3.0 branch).
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Eg https://github.com/JuliaMolSim/DFTK.jl/runs/5439547530?check_suite_focus=true
with `println(abs(diff_findiff - diff_forces))` on the first forces test I can't get it to go down far below 1e-5 with…
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Recently I am learning to use Z2pack to investigate 1D GNRs. But I have some problems when I start the example of Bismuth by using QE6.6 with Wannier90 on HPC.
The error is: AttributeError: 'NoneT…
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We propose clarifications for the semantics of constraint satisfaction in the [generics proposal](https://go.googlesource.com/proposal/+/refs/heads/master/design/43651-type-parameters.md). We also pr…
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DinhDuy Vu, Sankar Das Sarma
> We consider temperature-induced melting of a Wigner solid in a one dimensional (1D) chain of electrons interacting via the long-range Coulomb interaction in the prese…
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I've encountered what I believe to be a bug. I have the following system taken from https://doi.org/10.1103/PhysRevLett.124.120503 which is basically a chain where the nodes are Fermions and the link…