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貼吧活動:(請查閱 [SARS-CoV-2 Timeline by 2020.02.21](https://github.com/agorahub/_meta/blob/agoran/theagora/sari/Memorandum_2020-02-21_SARS-CoV-2-Timeline_Nathan.pdf?raw=true), by Nathan :cloud: )
- Colla…
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Hello MACE developers, your help would be appreciated:
**Describe the bug**
LAMMPS with ML-MACE crashes at different timestep upon sending the very same input script on the very same hosts, with t…
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Hello, @alphaparrot
I am currently running a model for the Kerbin planet in Kerbal Space Program. I added some information about storm climatology to the configuration. I would like to ask if it wil…
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Dear Sir,
I am currently working on a project where I need to incorporate a solvent model into our SHARC calculations using AMBER. Unfortunately, my background knowledge in AMBER is limited, and I am…
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+ Buat peta topik riset bidang yang akan ditekuni dan sebaiknya lebih dari tiga sehingga dapat dicari irisannya.
+ Gunakan fitur [Mindmap dari Mermaid](https://mermaid.js.org/syntax/mindmap.html) unt…
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**Submitting author:** @AndresRTejedor (Andrés R. Tejedor)
**Repository:** https://github.com/AndresRTejedor/Mold
**Branch with paper.md** (empty if default branch): joss
**Version:** LAMMPS 2023
**Ed…
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### Background
I'd like to output the charge density at t=0s t=10fs t= 50fs, during the molecular dynamics simulation or TDDFT simulations.
but currently setting `out_chg = 1` could only output char…
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**Submitting author:** @marjanalbouye (Marjan Albooyeh)
**Repository:** https://github.com/cmelab/flowerMD
**Branch with paper.md** (empty if default branch):
**Version:** v1.0.0
**Editor:** @lucydot…
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### Version
0.2.1
### Which OS(es) are you using?
- [ ] MacOS
- [X] Windows
- [ ] Linux
### What happened?
When I compute the energy for a series of strained structures using CHGNet, …
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**Submitting author:** @mcgalcode (Max C. Gallant)
**Repository:** https://github.com/mcgalcode/pylattica
**Branch with paper.md** (empty if default branch): paper
**Version:** v0.1.2
**Editor:** @ric…