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My colleges and I currently use LAMMPs to generate new data within our workflows. The main advantage is the flexibility and performance of LAMMPs compared to ASE. Thus I thought it would be nice to ha…
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I just purchased beacon omni upgrade for ASA sadly it fixed none of my issues. These codes are all working for my ASE server but not ASA even when using the new updated version of beacon for ASA
Ra…
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* It should be possible to compute gradients in massively parallel way, i.e. instead of sequentially running parallel calculations for every gradient, N independent serial calculation should be run. I…
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The transitions states notebook is a bit overwelming. It might help to make a directory with several notebooks explaining how to do the transition state sampling. The dependence on carmm for a structu…
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This is the text in the misc_model ents desc:
_"Generic placeholder for inserting models to map. Model triangles are baked to BSP.
MD3, ASE, 3DS, OBJ, FM, LWO, MD2, MDC, MS3D model formats are sup…
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Reported by **lschrode** and assigned to **maeder**
Migrated from http://trac.informatik.uni-bremen.de:8080/hets/ticket/695
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Implement both the monadic-style and the p-term style translations as…
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**Summary**
I tried to work with Lammps and selective dynamics and this basically confused me how
that tag is supposed to be set, because the way that seemed the most logic to me did not work.
M…
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Hi @atztogo ,
I was converting some frequencies by hand and noticed an error of O(1e-6), which I could trace back to the definitions used in `phonopy.units`. If I see correctly, those are CODATA 19…
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```
Hi. Is posible to have a resultset in plain text or configure ASE isql to
show just 1 resultset? (closing a tab before open other)
Disculpen mi Ingles. Saludos
```
Original issue reported on cod…