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1 change: 1 addition & 0 deletions .LightshowAI/bin/python
1 change: 1 addition & 0 deletions .LightshowAI/bin/python3
1 change: 1 addition & 0 deletions .LightshowAI/bin/python3.10
1 change: 1 addition & 0 deletions .LightshowAI/lib64
3 changes: 3 additions & 0 deletions .LightshowAI/pyvenv.cfg
Original file line number Diff line number Diff line change
@@ -0,0 +1,3 @@
home = /usr/bin
include-system-site-packages = false
version = 3.10.12
2 changes: 1 addition & 1 deletion html/index.html
Original file line number Diff line number Diff line change
Expand Up @@ -99,7 +99,7 @@

<div class="container_24">

<iframe src="/omnixas/" width="100%" height="600" style="border:0;"></iframe>
<iframe src="http://localhost:8443/omnixas/" width="100%" height="600" style="border:0;"></iframe>

<p>Lightshowai is a web user interface to predict the x-ray absorption
near edge structure (XANES) spectra using neural network models.
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2 changes: 1 addition & 1 deletion lightshowai/models.py
Original file line number Diff line number Diff line change
Expand Up @@ -172,4 +172,4 @@ def predict(structure, absorbing_site, spectroscopy_type):
element=absorbing_site, spectroscopy_type=spectroscopy_type
).predict(structure)
result = {ii: spec[ii] for ii in site_idxs}
return result
return result
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