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This issue is exploration into accelerating the eigensolver part of the linear method.
See #3633 for the umbrella issue with scaling the linear method with respect to the number of parameters.
The…
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I am trying to follow the tutorial about getting energy of water molecule and get the following when running the solver:
```
>>> obs = solver.single_point()
INFO:QMCTorch|
INFO:QMCTorch| Single P…
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This issue is to discuss some possible improvements for Jastrow radial-cutoff default values. Particularly, in Nexus, J12 defaults to the largest radial cutoff allowed by the supercell in periodic bou…
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Hi,
Just wondering whether you plan to provide support for asynchronous copy/compute with GPU calls such as `dgemm`.
I'm glad that your are using OpenMP offload. Since you say that the OpenMP of…
v1j4y updated
3 years ago
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Hi,
I open this issue to discuss the possibility of extracting key miniQMC kernels into standalone files.
Indeed having some standalone kernels will help the collaboration between QMCPACK and o…
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**Describe the bug**
converter_test_qmcpack_04-N2_nomsd-16-1-EnergyEstim__nume_real
converter_test_qmcpack_07-diamond_2x2x2_supercell-16-1-EnergyEstim__nume_real
converter_test_qmcpack_08-diamon…
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The current config parameters only allow logging into Qlik Cloud environment. Qlik Enterprise edition log in requires a few other parameters. How to make those changes? Cloning repository and npm r…
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Hello all! This issue is seeking thoughts on a core part of `scipy.integrate`. More than that, it is proposing an enhancement that I and others are willing and able to work towards.
Integrating a f…
izaid updated
1 month ago
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Hi @murraygm. I cannot view my local images. As you recommended, I save all the images in a folder under Extensions, but when I select one image name (as my 1st dimensión), only shows the label, no …
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**Describe the bug**
When a single determinant of natural orbitals (SD-NO's) obtained with the software Quantum Package 2 is converted into QMCPACK input, the VMC energy of this set of orbitals witho…