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*Issue migrated from trac ticket # 5827*
**component:** organization | **priority:** trivial | **keywords:** industrial applications
#### 2022-06-20 08:12:47: carsten.born@vitronic.com created the i…
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We are doing a project related to tyrosine kinase protein, in which we need process the docking step with 2 ions Copper instead of zinc. Thus, we need to modify the file AD4Zn.dat. We added the parame…
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On the full benchmark set, while generating plots with `match_minima.py` using data read in from pickle file, the memory grows exceedingly high (observed > 60 Gb) and is eventually killed.
I am wo…
vtlim updated
3 years ago
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Hello,
I'm using a Polymorphic relation to allow an `Account` to be associated with two different user types: `Customer` and `Staff`. I have the models defined as follows:
``` javascript
var Custome…
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By default the new make_gap generates only alphas_hirshfeld.dat. In my case it means, that I get alphas only for C or H. Could you please @richardjana fix it? Previous script was generating the alpha…
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**Summary**
The free energy calculated by VASP and stored in a pyiron HDF5 file is not consistent when the D3 (VDW) correction is enabled.
**pyiron Version and Platform**
- Python Version: 3.…
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The [main docs](http://knexjs.org/#Installation-migrations) say "Read the Migrations section for more information and a full list of configuration options", followed by an example file. The [migration…
Pomax updated
9 years ago
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Thanks for providing the tool to build the graphene-oxide structure. When I use the produced data file for lammps, I find the file appears to have some redundancy. For instance, the following contents…
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As discussed on Friday, we should work out an efficient way to create all the grids. Thanks to Li, for sharing the code for calculating atom pairwise electrostatics and VDW terms. It looks good, but o…
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I downloaded this using npm.
Unfortunately the particles.min.js file doesn't get downloaded.
Can you please correct this.
pjebs updated
4 years ago