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I recently compiled PeleLM on two different supercomputers, with both gnu and intel on each, and consistently receive `Erroneous arithmetic operation` immediately upon running the simulation. I am jus…
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Just a comment that for installing REBOUND on windows, you need to have the gcc updated libraries on windows (i.e. if you are using unix on windows).
Just adding it here... :D
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Hi,
I find an unexpected bug while matching substructure.
mol_smiles = 'CC1(C)OB(c2ccc(OCc3ccc4ccccc4n3)cc2)OC1(C)C'
subs_smiles = 'CB1OC(C)(C)C(C)(C)O1'
mol = Chem.MolFromSmiles(m…
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Add the following 3 researchers in the list. They are the bet of Web of Science to win the Nobel in Physics:
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1. Artur K. Ekert, Professor of Quantum Physics, Mathematical Institute, University o…
ghost updated
2 years ago
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The purpose of this issue is to discuss the future of the jupyter/notebook repository.
**Background:** The classic Jupyter notebook interface is currently maintained by a skeleton crew of develope…
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I suggest adding topics such as `quantum-chemistry`, `computational-chemistry` in the About section.
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Hi everyone! I am a new user of GEOS-Chem and currently I am trying to use GEOS-Chem to simulate PM2.5 in Alaska area. I made 4 sensitive test runs with slightly different settings in "GFED emission" …
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**Submitting author:** @VHchavez (Victor Hugo Gonzalez Chavez)
**Repository:** https://github.com/wasserman-group/pyCADMium
**Branch with paper.md** (empty if default branch): main
**Version:** v0.9.1…
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@[esclapez](https://github.com/AMReX-Combustion/PeleLMeX/commits?author=esclapez) I made a case that EB_FlamePastCylinder in PeleLMeX (because I want to use the isothermal boundary of EB), the calcul…
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One of the features I like most about KPP is that you can choose the
most suitable integrator for your problem and even fine-tune it.
However, for me as a non-mathematician, it is also important tha…