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### The problem
The `_atom_rho_multipole.scat_valence_table` and `_atom_rho_multipole.scat_core_table` data items are assigned the `Array` container type, but are described as tables in their human…
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```
-module(all_atoms).
-export([all_atoms/0]).
atom_by_number(N) ->
binary_to_term().
all_atoms() ->
atoms_starting_at(0).
atoms_starting_at(N) ->
try atom_by_number(N) of…
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### Thanks in advance for your bug report!
- [X] Have you reproduced issue in [safe mode](https://pulsar-edit.dev/docs/atom-archive/faq/sections/what-does-safe-mode-do.html)?
- [X] Have you used t…
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**Describe the bug**
Geometry optimizations using the GFN-FF do not work when I try to fix certain atoms of the structure.
A possible work-around is to use the ANC optimizer and not the default L-A…
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Excite Atom appears when stuck in the metastable 2S state. (Excite to n >2 in Schrödinger, will sometimes decay down to 2S state.)
We decided in today's design meeting that:
- [ ] Excite Atom bu…
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My code:
```
using GmemTiledCopyL = decltype(make_tiled_copy(
Copy_Atom{}, Layout{}, Layout{}));
using SmemLayoutL = decltype(Layout{});
__shared__ cute::array_aligned l;
GmemTiledCopyL …
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Here is the place to discuss the issues related to week 1.
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`make` ends with following:
```
...
CC libavutil/display.o
CC libavutil/downmix_info.o
CC libavutil/error.o
CC libavutil/eval.o
CC libavutil/fifo.o
CC libavutil/file.o
CC libavutil/file_ope…
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https://github.com/ACEsuit/mace/blob/f1be21e1fbd742ab53448b3851b5e1d50abfc04f/mace/cli/fine_tuning_select.py#L243
`np.random.choice` defaults to `replace=True`. Do we really want that for this sele…
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### Prerequisites
* [x] Put an X between the brackets on this line if you have done all of the following:
* Reproduced the problem in Safe Mode: http://flight-manual.atom.io/hacking-atom/s…