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adding a widget to control DeltaE in PDOS plugin #966
adding a widget to control DeltaE in PDOS plugin #966
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Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #966 +/- ##
==========================================
- Coverage 67.82% 67.80% -0.03%
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Files 110 110
Lines 6213 6218 +5
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+ Hits 4214 4216 +2
- Misses 1999 2002 +3
Flags with carried forward coverage won't be shown. Click here to find out more. ☔ View full report in Codecov by Sentry. |
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Very nice @AndresOrtegaGuerrero. Flawless use of the new MVC pattern 💪
Other than my one comment regarding <br>
tags, LGTM!
<b>Recommendation for Molecules and Localized Orbitals:</b><br> | ||
For systems involving molecules or localized orbitals, it is recommended to use a |
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<b>Recommendation for Molecules and Localized Orbitals:</b><br> | |
For systems involving molecules or localized orbitals, it is recommended to use a | |
<b>Recommendation for Molecules and Localized Orbitals:</b> | |
<br> | |
For systems involving molecules or localized orbitals, it is recommended to use a |
I find it a bit clearer to give <br>
tags their own line 🙂
Thank you @edan-bainglass , i did the change you suggested |
This PR solves the problem with #959
The solution is to set DeltaE[https://www.quantum-espresso.org/Doc/INPUT_PROJWFC.html#idm30] (energy grid step eV) from dos.x and projwfc.x.
Here, we also modified a bit the description of the PDOS plugin tab, plus the addition of the new widget.
By enforcing the DeltaE to be 0.01 eV we get to see the core level pdos peaks