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- [x] RESA?CLIP should read RESA-CLIP (as per dbxref).
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LepsFW is apparently deprecated in favor of DFPTFW and has been for some time, e.g. see https://github.com/hackingmaterials/atomate/issues/160 and https://github.com/hackingmaterials/atomate/blob/498e…
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WORKFLOW DOC
A. General Procedural Steps
- [x] Run script without error
- [x] Pass other internal testing
- [ ] Document as comments any materials referenced (in addition to survey documentati…
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Dear Altruists
I have a rough metal surface on top of which I am considering the PCM solvation modeled by the VASPsol. I would like to know that is it possible to control the uniform depth or thick…
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_**Carpenter, Alexander, et al. “Blueprints for Biosensors: Design, Limitations, and Applications.” Genes, vol. 9, no. 8, July 2018, p. 375. DOI.org (Crossref), doi:10.3390/genes9080375.**_
The art…
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https://github.com/materialsproject/pymatgen/blob/f091ddba0a82c586eca91b454ebeeafb45ac80fe/pymatgen/analysis/phase_diagram.py#L566-L569
In `PhaseDiagram.get_decomp_and_e_above_hull` the current cod…
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We need to update and discuss the License!
Currently it is the MIT license, but that might be too free.
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Meeting Dec 18th 2020 at 2pm UK time at https://ucl.zoom.us/j/92800004715. This page follows on from #47.
Recording is [here](https://youtu.be/va_5waLqUiQ).
On the call: @mattodd
1. **Screen…
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Meeting Jan 15th 2021 at 2pm UK time at https://ucl.zoom.us/j/92800004715. This page follows on from #49.
Recording is [here](https://youtu.be/GVAmpkCqUUA).
On the call: @mattodd @danaklug @drc0…
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WORKFLOW DOC
{FOR REVIEWERS}
- [x] They can run the code smoothly on the reviewer's end, where the microdata could be generated without error
- [x] Review and validate the quality checking output…