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When I run the following script (very similar to the one in #60)
```
import spglib
import numpy as np
from euphonic import ureg, ForceConstants
import brille as br
fc_file = 'castep_files/quar…
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With `Euphonic` installed along side `brile=0.5.0` to `brille=0.5.3` (plus [`pooch`](https://www.fatiando.org/pooch/) to retrieve the binary CASTEP file), running the following raises a `RuntimeError`…
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## Bug chasing (RJN and AJM 15/12/20)
ome v dome : both exhibit problems -- but don't give *identical* errors.
Up spin changes with number of processes on *adaptive* and *linear*.
## Possible l…
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When I run the following script:
```
import spglib
import numpy as np
from euphonic import ureg, ForceConstants
import brille as br
fc_file = 'castep_files/La2Zr2O7.castep_bin'
fc = ForceCons…
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IN:04997930
Some jobs on Young fail because they can't access files or executables they ought to be able to. This ONETEP example is the most recent, and initially seemed to be failing consistently…
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Support for parsing `check` and `castep_bin` files would be very useful. Some properties are not printed in the text `.castep` output or at least for a high precision (e.g. forces).
We can search …
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When running pm-muairss in write mode, it creates folders under `/` where `` is either `uep` or `castep`. Rerunning pm-muairss overwrites the entire `` - or forces you to choose another name - but the…
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The SimulatedDensityOfStates Algorithm in Mantid reads frequencies and optionally eigenvectors from Castep output files, providing a few useful plotting options.
It would be helpful to permit impor…
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Hi,
I'm from China, and I use https://pypi.tuna.tsinghua.edu.cn as the pypi mirror to duplicate a environment using the requirments file.
But I see the very slow speed here:
```
$ pip inst…
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- [+ ] aiida-vasp and aiida-core are installed in a virtualenv that is used for nothing else
- [ ] if you are installing from th…