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Add a tutorial for the Kalthoff-Winkler experiment.
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(Please correct me if I am misunderstanding any of these components! Thanks @swails for pointing out some of this info appears in the manual.)
The **OpenMM System Tests**, used to test release candi…
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@jrelliottoh @mostafa-razavi I am about to begin investigating other compounds to see how general our results are for MBAR/PCFR. I want to make sure that I am sampling the ITIC state points that you …
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Hi all,
There's a bug in Cabana if the position variable isn't the first property when creating the Array-of-Structs-of-Arrays (AoSoA) type for the Nearest Neighbor Particle System (NNPS). To expla…
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Hi @whitetigle and @MangelMaxime! Let's start a new issue as the previous one went off-topic long ago ;)
I've a bit of experience with game engines in the past (before I learnt functional programming…
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**Pasted from my scratch notes:**
Task: Friction Support in SAT
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Goal: Collision resolution should be affected by friction, reducing movement in the direction tange…
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### Steps to reproduce the issue
```console
$ spack spec -I cp2k+cosma+libvori+mpi_f08+pexsi+plumed+pytorch+quip+sirius+spglib+ipo+elpa+dlaf+openmp build_system=cmake lmax=7 ^cosma+shared ^cmake/v…
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**last of my scratch notes**
Task: New Physics Experiments
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Goal: Experiment with some variations to the current collision reaction calculations. Currently, the col…
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`Simulation`'s init method seems to ignore the platformProperties kwarg supplied to it if the `platform` kwarg is not supplied. I've found this issue on both openMM 7.7 and 8.0. I have not gone furthe…