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Currently, the object selection window, like other windows with a scrollview, is quite limited in how many entries can be displayed. Due to scrollviews using int16_t to keep track of their scroll posi…
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Hi,
Nice Work !! Using Absolut I am able to discretize a new antigen. For next step of generating the structures for it, Is it possible that Absolut can consider only the region specified by the us…
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**Is your feature request related to a problem? Please describe.**
I'd like to get the gradients for every step during a geometry optimization
**Describe the solution you'd like**
`xtb input.xyz …
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The problem I am dealing with is a tunnel. I am looking at a case where I get some smoke spread upstream against the airflow. The extent of this backlayering length is 12 m on a 0.4 m grid. If I go to…
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Hi, all!
This idea is about to inspire people in usage of solar energy and reduce household fuel and electricity costs.
We can try do it by showing the comparison of local electricity prices and p…
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When I do not set boundary compositions for a specific model, the model runs fine, but after a while erroneous compositions flow in. When I set the boundary compositions to intitial compositions the f…
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**Describe the bug**
With small molecules, CPCM-X calculations often segfault.
**To Reproduce**
Steps to reproduce the behavior:
1. happens with input ``ammonia.xyz``:
```
4
HF/STO-3G CCCBD…
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**Feature description**
Essentially in the general or gore settings there should be a thing that toggles living entities stamina, and maybe a slider that can determine how much they have. The stamina…
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Hello, I'm just curious is DGPU support on SB1 is on the road map?
Excellent work on this!
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Dear Professor McClure, I'am trying to test your code for imbitition simulation on a simple artificial porous medium sample (basically just a regular array of vertical solid columns), and noticed a st…