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### Bug summary
When running DeepMD-kit, an error occurs related to a mismatch in tensor shapes. Specifically, the error message indicates that the shape of the input tensor does not match the expect…
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You do not need to put in anything here :)
Just open the issue by clicing the green "Submit new issue" and within 10-15s a message instructing you do upload your files should appear!
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Hi,
I'm using clion 2019.2, I installed this plugin and open some source files of vasp 5.4.1.
Then I find the this plugin crashed with the following info:
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ase.lambda$getValueWithLock$1…
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Hi community,
This RFC is about a proposal to refactor DPGEN workflow with a new design based on DFlow
A typical DPGEN2 configuration is like the below:
https://github.com/deepmodeling/dpgen2/…
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Currently, this line https://github.com/materialsproject/atomate2/blob/f14586c7b29a7d5cbf7eabfe399728ab6362e0e7/src/atomate2/vasp/files.py#L195 does not have the intended effect of updating the INCAR…
JaGeo updated
1 month ago
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Hello,
I am following the Vasp Ce Hubbard-I example on this page:
https://triqs.github.io/hubbardI/latest/ce.html
to do the same calculation for CeB6.
I am using the current version of Triq…
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**Summary**
Sometimes, energy.raw file at iteration.0000x/02.fp/ doesn't have all the task's energy.
For example, when implementing 02.fp step with 30 tasks, other files such as coord.raw, box.raw…
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I tried a simple dos with elk and get the below. But when I look at your parser page I don't even see elk. [](https://romerogroup.github.io/pyprocar/api/io/index.html )
Yet pyprocar is still listed o…
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Hello everyone,
I am having an issue with submitting calculations with the aiida-vasp plugin. I don't remember what I originally did to make this happen but I believe it was something to do with th…