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I did not see the crucial file 'vad2.txt' in the folder.
503593088@qq.com
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Previously implemented by Saurabh in matminer (now removed from matminer)
```
from __future__ import division, unicode_literals, print_function
import math
from scipy.constants import *
fro…
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# GLP TOOTH WHITENING TIPS
https://www.godlikeproductions.com/forum1/message3536009/pg1
https://www.godlikeproductions.com/forum1/message3705030/pg1
- This is my recipie for a dry toothpaste.…
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Test case 32 from the FH51 subset of [GMTKN55](http://www.thch.uni-bonn.de/tc.old/downloads/GMTKN/GMTKN55/FH51ref.html) computes the isomerization energy between H2C-C5-CH2 and heptatriyne. So as to n…
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hello! i get an error when i run——python diffcsp/run.py data=perov_5 expname=reproduction_diffcsp_perov
diffcsp/run.py:172: UserWarning:
The version_base parameter is not specified.
Please spe…
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Hello
For the purpose of comparison,, I have to train large number of configurations (for example 20000 configurations 40*20000 atomic environments) with GAP and SOAP fingerprint. I get the below err…
bpfrd updated
4 years ago
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This issue addresses the need to have classes in VIBSO that represent the various Raman spectroscopy assay types defined in the [ISO18115:3](https://drive.google.com/file/d/1xM0vNvgf25k9QXB1hxB6l0E3Xf…
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**Date**: Oct 11th 2022
**Time**: 2pm UK time ([other times](https://www.timeanddate.com/worldclock/meetingdetails.html?year=2022&month=10&day=11&hour=13&min=0&sec=0&p1=43&p2=136&p3=37&p4=771&p5=235&…
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I'm stumbled across jupyter-book today as I'm looking to improve my electronic lab notebook. Does anyone do this already? Is this a good/bad idea? It seems like it might work, but I'm not entirely sur…
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Hi MyOS community - my name is Matthew and I am a current honours student in Mat’s group. Over the next few months I will be working alongside the community to contribute compounds to the library. (ed…