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This is part of the [JOSS Review](https://github.com/openjournals/joss-reviews/issues/1612). The following consists of several comments on the paper aspect of the JOSS submission and does not reflect …
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It seems like the DGELSD least squares solver via SVD produces incorrect results when built with TARGET=SKYLAKEX or DYNAMIC_ARCH=1 and run on a SKYLAKEX node. The processor we use is the Xeon 6148.
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This is part of a [JOSS review](https://github.com/openjournals/joss-reviews/issues/1612). I’m only partly through the review, though.
First, thank you for this handy software!
General comment…
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### Informations
- **Qiskit Aqua version**: 0.5.1
- **Python version**: 3.6.6
- **Operating system**: MacOS Mojave
### What is the current behavior?
When I try to run a VQE job I get t…
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When using biber with a bibliography containing carriage returns, only entries after the first CR are evaluated by biber. When the CRs are removed, biber just works fine for every entry.
The bibli…
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**Is your feature request related to a problem? Please describe.**
Coutsias, E.A., and Wester, M.J. (2019). RMSD and Symmetry: RMSD and Symmetry. Journal of Computational Chemistry. https://doi.org/1…
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**Intro**
I highly appreciate the MOL and SDF file reader and import, because it narrows the gap between cheminformatics with millions of molecules from PubChem and ChemSpider and the quantum chemist…
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when creating an openmm system via `ForceField.create_openmm_system` the time required seems to drastically increase with MW. Currently I'm still waiting for MW ~900 molecule to finish after 30+min
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- [x] I have read the [MiKTeX Contributing Guidelines](https://github.com/MiKTeX/miktex/blob/master/CONTRIBUTING.md)
Hi! This questión might seem very specific, but I'm having an issue making a cha…
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**Description:**
When reading a SMILES file with SmilesMolSupplier, if there is a parse error on the last line, the error is not easy to catch. It appears that the iterator finishes the loop befor…