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when I start to try the code in the book, the first one is the channel flow in chp8. When I run the code, the main loop end in the first step. In the beginning, the most of distribution function is ze…
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Hi,
I have gone through the schnetpack tutorials but couldn't find NPT simulation example (let me know if I missed it). Is it possible to perform NPT simulation with schnetpack? If yes, can you plea…
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I think I am running out of memory even with 392GB for running standard pipeline for molecules size of ribociclib (62 atoms). The input for python poltype.py is:
```
structure=ribociclib.sdf
scrat…
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#### Käsitteen tyyppi
CONCEPT
#### Ehdotettu termi suomeksi
suurteholaskenta
#### Ehdotettu termi ruotsiksi
högpresterande datorsystem
#### Ehdotettu termi englanniksi
high-perfo…
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I'm having an issue when I use C-c C-o while the cursor is on an org-ref link.
Inserting cite links goes fine, but I can't seem to follow the inserted links.
If the cursor is in the middle of the …
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Hello @sfilippone,
I would like to use PSBLAS for an unstructured lattice Boltzmann code (I've seen it used this way in some of your slides).
Running the configure script with `./configure --wit…
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Please review the structure of the initial draft c76b7e0eedeee44ddf6a8eedfb6516df8a870643
I have also completed the first draft of the following sections, in case you are interested in reviewing th…
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hello, I didn't find the d2q9_SRT model in the "CLB"' directory. I want to know which model should I compile to run this example file.
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Thanks for the good work! I am enjoying this package a lot.
I've run into an issue with the 3D example of the cube. Basically matplotlib complains about not being able to set the aspect ratio in 3…
gavox updated
3 years ago
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I've been experimenting with a dialectric-like theory of materials for speculative graviton thermal interactions, per earlier work by Strano, (me). Nuclei in rigid body objects would hypothetically ac…