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> On a tangentially related note now that I see it again, it would be handy to switch to using [ase](https://wiki.fysik.dtu.dk/ase/ase/ase.html#modules) instead of [diffpy](https://www.diffpy.org/diff…
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### Description
I am using Powershell and Remove-AzAppServiceEnvironment to remove App Service Environment.
I tried this Module (Remove-AzAppServiceEnvironment) several times and found that somet…
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**Describe the bug**
I tested the `FatBandsPlot` for polarized and spin-orbit calculation on the same system. The spin-orbit case seems to work correctly, while for polarized calculation it appears a…
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```
The ASE parser in src/org/papervision3d/objects/parsers/Ase.as (rev 919)
assumes MS-DOS linefeeds ("\r\n"), but in some cases .ase files may have
unix linefeeds (for example when passing through e…
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The new ASE trajectory and optimizer/dynamics setup needs to be incorporated.
Mainly this means that we need to move to modifying the atoms in place and not returning a trajectory, just using the Traj…
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Hi i got an error -> "Warning: Trying to access beyond buffer length Use --force to continue."
if i'am using the this script as grunttask.
'use strict';
var ase = require('ase-utils');
var fs = req…
mLihs updated
8 years ago
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```
The ASE parser in src/org/papervision3d/objects/parsers/Ase.as (rev 919)
assumes MS-DOS linefeeds ("\r\n"), but in some cases .ase files may have
unix linefeeds (for example when passing through e…
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In equisolve/utils/convert.py, ase is used in the `ase_to_tensormap()` fxn. If not already installed, a `ModuleNotFoundError` is raised. Should ASE be a core dependency?
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I have deployed the result of a training session into a pth model and hope to test it by ASE calculator for some testing data of xyz format, but I don't know how to use the nequip_calculator in the fo…