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I use psi4 v1.7 to perform gradient calculations under the WB97M-D3BJ/DEF2-TZVPPD level. Most structures work fine, but I get the following error in some structures without a clear error message.
`…
njzjz updated
6 months ago
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## Overview
This design exploration aims to improve the overall experience for new users while also providing value for existing users. Going through feedback from new and existing users we've hear…
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### Background
End-goal: Implement the MAM3 (with easy extensions to 4/7) aerosol model. See [MAM3/7](https://gmd.copernicus.org/articles/5/709/2012/) and [MAM4](https://gmd.copernicus.org/articles/9/…
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We've hit an issue where the "units" of salinity are tripping over some code of ours, we've documented this a little better at https://github.com/PCMDI/pcmdi_metrics/issues/162
It would be helpful fo…
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Greetings @paulromano,
I wanted to revisit my issue from long ago. Points of Interest:
"running `openmc-plot-mesh-tally` on the statepoint file even lets me choose the axial level for a specifi…
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depending on how you wanna use mesures on the reals, it *seems* to me that something like having measures provide a sorta of "valuation" function on the elements of their sigma algebras might be usefu…
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Just curious - what's the relationship/overlap/complementarity of this package and the uncertainty machinery in https://github.com/JuliaPhysics/Measurements.jl?
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On v0.1.25 on OSX, I get the following error when computing gradients from the following jit-compiled function.
```python
import numpy as onp
import jax.numpy as np
from jax import grad, jit
…
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Hi,
I made a new version of prof synapse. This version uses the following research paper:
SELF-DISCOVER: Large Language Models Self-Compose Reasoning Structures available at: https://arxiv.org/abs/2…
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Now that a decent fraction of the code has been refactored or rewritten, I think it's time we focus on the tally module. There are numerous problems with the tally module:
- Doesn't truly support coll…