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#### Issue description
Clarification, and preferably an example regarding if lightning.gpu has cuQuantum multi-node capability. Can I access multiple gpus spanning multiple nodes in a HPC? How?
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I suggest adding the topics `cp2k`, `density-functional-theory`, `quantum-chemistry`, `electronic-structure` in the About section
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We are interested in obtaining NACs and forces for a set of SS-CASSCF states.
@matthew-hennefarth and @MatthewRHermes, I know you have recently implemented this in pyscf for SA-CASSCF (many thanks…
ghb24 updated
2 weeks ago
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https://github.com/aplowman/castep-parse/blob/678e9770c3e84f6e6f6d0e87c394124b39c6cbc4/castep_parse/readers.py#L862
It seems that if the version finding fails, the whole reader fails. This is becau…
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AFAICT this is happening in
https://github.com/NNPDF/reportengine/blob/491c92e0d601e7f28b216160700a26dfc654d8cb/src/reportengine/helputils.py#L28
Is there a reason we don't want to respect new l…
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From @cshenton on https://github.com/blei-lab/edward/issues/759#issuecomment-333026192:
> What are your thoughts about moving edward to a point where all operations have an associated jacobian (in th…
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Hi @kaipartmann
We're working on the thermo-mechanical coupling model. A script from scratch is here (https://github.com/vavrines/KitPD.jl/blob/main/couple/script.jl).
We're just about to clean …
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Block-copolymer self-assembly-based nano-patterns with controlled complexity
(복잡도 제어가 된 블록공중합체 자기조립 나노패턴)
좌장 : 이승우(고려대)
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Based on the description [here](https://www.vasp.at/wiki/index.php/IVDW):
Note, however, that these correction schemes are currently not available for calculations based on density functional p…
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**Submitting author:** @junghans (Christoph Junghans)
**Repository:** https://github.com/votca/votca
**Branch with paper.md** (empty if default branch): JOSS
**Version:** v2024.1
**Editor:** @srmnitc
…