658. Teaching during the pandemic, part 1: How to use a mobile phone as a wireless lavalier microphone

This pandemic isn't going anywhere soon. We'll be using online/remote teaching or hybrid teaching models for at least the next two semesters up here, and it's time to figure out how to do it in a way that works for the students, as well as us lecturers, in spite of not actually getting any more time to prepare our classes than we would during a normal year.

This post is linux-centric, but the solution should be applicable to OSX and Win as well.

Using a mobile phone as a wireless lavalier microphone
While I've made proper videos in the past, I haven't tried recording 'live' lectures before. We've been asked to resume on-campus lectures this fall, but have also been told to make sure that we record everyhting so that students don't show up to class in spite of being sick.

I've moved away from using powerpoints to using the whiteboard for my lectures (I've surveyd my students -- 95% in class after class prefer chalk-and-talk).

Simply using a camera with a static microphone to record won't cut it -- it won't capture the sound properly, in particular not when you're up at the whiteboard. Also, audio-quality matters -- if you have to choose between good audio and good video, pick audio.

What do you need?
You need
* an android phone (similar solutions should be available for iOS)
* for the phone and your recording device (e.g. laptop or computer) to be online and able to connect to each-other (e.g. a LAN). You can use the laptop as a hotspot.
* the program LANMic installed on your phone
* OBS Studio to receive the stream from LANMic. There are other programs -- as long as they can receive rtsp streams, they are OK.

---

How-to

1. Install LANmic on your phone. Connect a lavalier/lapel mic to your phone. Install OBS Studio on your computer.

2. Both devices (phone and computer) need to be able to communicate with each other over the LAN.

If you have EduRoam, this might not be the case. In that case, use your computer to set up a wifi hotspot. See the end of this post for how to do that.

3. Start LANmic on your phone, select rtsp and start streaming. Note the address of your phone (here: rtsp://192.168.2.13:8080)

It'll look like this because nothing's connect to it:

4. Start OBS Studio and add your sources.

I've just made a quick example here. To add the phone, add Media Source, uncheck local file, and enter the address from the previous step.

If all goes well you'll see the meter for the moble mic moving.

Your phone will now look like this:

This isn't a perfect solution, but it works. Importantly, it will allow you to record everything on the fly/and or stream it and/or stream via zoom (have a look at https://obsproject.com/forum/resources/obs-virtualcam.539/).

In the next few posts I'll be exploring other solutions

---

Here's how to set up a wifi hotspot on debian:

Open Network:

Set up hotspot:

Then connect your phone to the new network. Note that this means that you won't have any network connectivity, unless you're also using a LAN cable.

657. More on charges in nwchem and gaussian

A now ten-year old paper introduced the concept of Pauling bond-strength conserving terminations (PBS ) in the use of molecular codes for calculations involving extended crystalline systems ('Quantum-Chemical Calculations of Carbon-Isotope Fractionation in CO2(g), Aqueous Carbonate Species, and Carbonate Minerals' by James R. Rustad, Sierra L. Nelmes, Virgil E. Jackson, and David A. Dixon --  see link). The authors used NWChem for the calculations, most likely due to the affiliation between the lead author and PNNL, where NWChem is developed, and where the researchers have been banned from using Gaussian.

I use Gaussian almost exclusively these days, mainly due to how fast it is.

Unfortunately, Gaussian and NWChem behave quite differently when it comes to introduction of specified nuclear charges, so I here compare the two codes in terms of how to set up PBS calculations.

NWChem (6.8):

scratch_dir /scratch
Title "charge"

Start  charge

echo

charge 0

geometry noautosym noautoz units angstrom
 Mg     0.00000     0.00000     0.00000
 O     0.00000     2.09000     0.00000
 O     1.47785     2.22045e-16     1.47785
 O     -1.47785     -1.11022e-16     1.47785
 O     0.00000     -2.09000     0.00000
 O     -1.47785     2.22045e-16     -1.47785
 O     1.47785     -1.11022e-16     -1.47785
 H1     -0.691981     2.65500     -0.691981 charge 0.5 
 H1     0.691981     2.65500     0.691981 charge 0.5 
 H1     1.87737     0.978609     1.87737 charge 0.5 
 H1     1.87737     -0.978609     1.87737 charge 0.5 
 H     -1.18539     7.33956e-09     2.56935
 H     -2.56935     -7.33957e-09     1.18539
 H     -0.691981     -2.65500     0.691981
 H     0.691981     -2.65500     -0.691981
 H     -1.87737     -0.978609     -1.87737
 H     -1.87737     0.978609     -1.87737
 H     1.18539     -2.20187e-08     -2.56935
 H     2.56935     2.20187e-08     -1.18539
end

basis "ao basis" spherical print
  H library "def2-svp"
  Mg library "def2-svp"
  O library "def2-svp"
END

dft
  mult 1
  direct
  XC pbe0
  grid xfine
  mulliken
end

task dft energy   

This gives an energy of -655.860806066326.

Removing the charges for H1 and setting the total charge to +2 gives an energy of -657.044328628867

Gaussian (16.A01):
WRONG:

%nprocshared=6
%Mem=800000000
%Chk=charge.chk
#P GFINPUT rPBE1PBE/def2svp 5D  NoSymm  Punch=(MO) Pop=(full) 

charge

0 1 ! charge and multiplicity
 Mg     0.00000     0.00000     0.00000
 O     0.00000     2.09000     0.00000
 O     1.47785     2.22045e-16     1.47785
 O     -1.47785     -1.11022e-16     1.47785
 O     0.00000     -2.09000     0.00000
 O     -1.47785     2.22045e-16     -1.47785
 O     1.47785     -1.11022e-16     -1.47785
 H(znuc=0.5)     -0.691981     2.65500     -0.691981
 H(znuc=0.5)     0.691981     2.65500     0.691981
 H(znuc=0.5)     1.87737     0.978609     1.87737
 H(znuc=0.5)     1.87737     -0.978609     1.87737
 H     -1.18539     7.33956e-09     2.56935
 H     -2.56935     -7.33957e-09     1.18539
 H     -0.691981     -2.65500     0.691981
 H     0.691981     -2.65500     -0.691981
 H     -1.87737     -0.978609     -1.87737
 H     -1.87737     0.978609     -1.87737
 H     1.18539     -2.20187e-08     -2.56935
 H     2.56935     2.20187e-08     -1.18539

gives an energy of -655.679686484!

However,

2 1  ! charge and multiplicity

gives an energy of -655.860712881, which is what we want.

Removing the znuc specifications and using

2 1  ! charge and multiplicity

gives an energy of -657.044229333

Keeping the znuc specifications and defining those protons as fragment 2, and the rest of the cluster as fragment 1

 2 1 -2 1 4 1! charge and multiplicity

gives an energy of -655.860712881


Conclusion: 
both NWChem and Gaussian can be made to use PBS, but while you use the intended cluster charge (0) in NWChem, you need to use the unmodified charge (+2) in gaussian.

656. Rant: On Academia and the English language

I used to think that (postgraduate) students didn't know how to write good manuscripts because they don't learn how to do so during their undergraduate education. I'm now even more cynical about it -- I believe that we actually actively teach them bad practices instead.

1. Honours students are particularly problematic, since they haven't yet had to write a thesis and are mainly exposed to scientific writing in the form of lab reports. Unfortunately, the way lab reports are written does not resemble any form of document that the students will produce in the career -- whether they go into industry or academia. So what's the point? Sure, they get to do a bit of thinking about the science behind the experiment in the process of writing -- and that's great -- but it does not teach them how to write up science.

2. The biggest problem is that students, regardless of level, are often told to write a certain number of words as part of their academic assignments --'write at least 800 words'. The idea is to make sure that they put in enough work, but the outcome is that you get papers with a lot of filler words and phrases.

I had a masters (by research) student write something along the lines of 
"'During the first week(s) of the course, a literature search will be conducted where appropriate sources are gathered'"
instead of
"Targets will be synthesised according to literature procedures"

It would be better to give students assignments where they are told what must be addressed in their essays, and then graded accordingly if they do a bad job of it. If they can complete the task in 400 words instead of 600, so be it.

I now tell my students to read Orwell's "Politics and the English language" in order to learn how to write, as it deals with this directly, and contains some great examples.

3. Postgraduate science writing courses are often geared towards teaching students to write popular science texts, and are often given by people outside their fields. Firstly, they are PhD students and first need to be able to write about science as experts before learning to write pop sci -- they WILL need to do the former, but are unlikely to need to do the latter. Secondly, (bad) pop sci writing often ends up being so devoid of actual information that it's impossible for someone in the field to figure out what it's about -- the way the Nobel prize in chemistry is presented in the newspapers is often so short on detail that it's impossible to know what the discovery is.

4.  Role models are hard to find. Few students think that the type of writing they see in social media works for science, but they might not realise that journalists are great sinners along the lines of point 2. Authors of fiction vary in quality, and I find it hard to read modern literature because of how self-indulgent many authors are.

I tell students at the beginning of their postgraduate course to have a look at some of the papers that they read when doing the initial literature search for their research, pick out one good and one bad example, and then try to work out WHY they felt that way.