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In recent discussions with OpenEye about free energy calculations on their Orion cloud computing platform, it became clear they will benefit from an open analysis library (`alchemlyb` in particular) b…
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I just upgraded from the old HomeBridge command line kit to the new integrated plugin. Prior to the upgrade I had doors working just fine, but I had to add the following to my config:
"treatAsDoorId…
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Hi,
While running an example accelerator test provided in pulp-rt-examples, simulation stuck after one iteration.
![hwme_test_stuck](https://user-images.githubusercontent.com/48988347/88049651-c…
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Hi,
As far as I can see, your mocked file system implementation supports the semantics of Windows, Linux and MacOS.
However, I could not find how to tell which semantics I want when creating an in…
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ISC makes simulations using Adobe Captivate and Camtasia, and exports them as a zip file containing HTML5, CSS and Javascript.
The default upload capability that edX provides only handles the upload …
natea updated
4 years ago
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### Steps to reproduce this issue:
1. Use a compiler that has its runtime libraries in a directory that also contains `lib.so`
2. Install the package `spack install `
3. The build system invokes …
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**Describe the bug**
On Linux, the Append mode can be used to create new files. On Windows, the program aborts if the file does not yet exist.
**To Reproduce**
```cpp
#include
int main()
{
…
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Hi everyone, I tried to generate a last frame in PDB format along with the XTC file using the code below. However, the lastframe.pdb file doesn't have the correct box dimensions—it has the box dimensi…
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OpenMM version: 8.0.0
Python: 3.10.8
Driver Version: 535.54.03
CUDA Version: 12.2
Error: when running a system with multiple GPUs the system crashes ofter resulting in NaN. This event doesn't ha…