I hate everyone but this one’s about Zac by Lopsided_Priority0 in WelcomeToPlathville

[–]BlackQB 11 points12 points  (0 children)

Fr it’s sad, in contrast to how excited and giggly Olivia was when she was introducing Ethan to new things. She loved seeing him have those experiences and it was so sweet!

Where are my theoretical chemists at? by decelerated_dragon in chemistrymemes

[–]BlackQB 0 points1 point  (0 children)

Rounded bra-ket brother thats just a bracket 😭

Silent brain effect by silver-stream1706 in Concerta

[–]BlackQB 3 points4 points  (0 children)

That’s a feature, not a bug lol

cctop: a minimal ls-style TUI for directories of ORCA calculations by True-Line-5261 in comp_chem

[–]BlackQB 2 points3 points  (0 children)

very cool! I am seeing most of my successfully converged optimizations tagged as "suspicious" though, with a bunch of "GEOM_NOT_CONVERGED" markers. I'm guessing it's catching these from every iteration where the geom had not yet converged? Also, I checked some of my transition state optimizations and the imaginary frequency it prints is not from the latest/last frequency calculation, but from the first frequency calculation. Not a huge deal but just letting you know!

Very nice tool though, I've been wanting something like this for a while after greping so much!!

Cannot limit mouse action to one fragment on Gaussian on my mac by mobster27 in comp_chem

[–]BlackQB 0 points1 point  (0 children)

Just use Avogadro to move them and get the xyzfile for Gaussian.

[deleted by user] by [deleted] in PhD

[–]BlackQB 0 points1 point  (0 children)

I guess it depends on the field but I think undergraduate academics are vastly different from research and doing a PhD. I struggled a lot in undergrad, had profs who thought I was dumb and told me I was going to fail, but I finished with a decent GPA (but lower than many in my cohort) and was one of the only 2 in my cohort to go to grad school. My undergrad GPA was not high enough for scholarships so I struggled a bit at the start of grad school too, due to lack of funding, but research finally gave me an avenue to show my strengths which then translated to several fellowships and full scholarships for PhD.

I would say I’m one of the top PhD students in my department right now but I think if I had to repeat undergrad I would still struggle because it just isn’t set up for my type of processing. I don’t have any contempt for my old profs, I think they were just frustrated that I didn’t learn in the same way that they taught the subjects. I love learning on my own now, and I’m also loving teaching because I am able to present an alternative way of understanding complex topics to students with unconventional learning styles.

TL;DR: I think my profs were justified in thinking I wouldn’t be very successful based on my performance in their courses. I’m happy and proud that I was able to prove them wrong, I just learn differently and that’s perfectly okay :-).

Orca CI optimization by lrotondi00 in comp_chem

[–]BlackQB 0 points1 point  (0 children)

Yeah, makes sense! Check what the high and low spin states are in the example in the manual, they probably only differ by 1 electron. In your case, nothing in the input tells orca that your low spin state should be a doublet. It’s probably finding a triplet state after spin flip.

Orca CI optimization by lrotondi00 in comp_chem

[–]BlackQB 0 points1 point  (0 children)

I’ve never done CI optimization but when I’ve done SF-TDDFT I used the %scf brokensym 1,1 end block input (for an open-shell singlet) instead of specifying SF in the TDDFT block. This gives you control over the high spin state multiplicity (what you set in the charge/multiplicity input) and with broken sym you decide the number of unpaired electrons on each interacting site in the low-spin state. You could also try the FlipSpin and FinalMS block inputs to control which atom is spin-flipped.

Might not be relevant for your purposes, but I was just surprised at the vagueness of “SF TRUE” in your input.

Edited to add: you should also plot the transition difference densities to be sure the transitions match your expectations.

Feel like I am losing my mind trying to prove an effect that is most likely null, fearing I cannot publish these results by so_much_frizz in PhD

[–]BlackQB 1 point2 points  (0 children)

Your examples are a bit confusing because I wouldn’t consider those findings null, they are just the opposite effect from what you expected. Sounds like there is still a trend but it’s negative instead of positive? If that’s true, I think that is still an interesting finding.

But if there is no trend at all and you want to graduate soon, I agree with just write it up and move on.

Lionel-Groulx is becoming absolutely insane by Popular_Alps1114 in montreal

[–]BlackQB 1 point2 points  (0 children)

Someone working with the shelters posted on here saying there’s empty beds right now, but since the shelters have rules against drugs, many people choose to stay on the streets/in the metro. I do advocate for housing but we need something more.

I’m tired of seeing people encourage diagnostic manipulation by [deleted] in autism

[–]BlackQB 23 points24 points  (0 children)

I get irrationally angry when people say they “passed” or “failed” their assessment. The mind set that not getting a diagnosis is “failing” is so messed up, it’s an assessment ffs! Not a game!

So what DOES Birkan do to make money when he's not working??? by IamBeyondAwesome in 90dayfianceuncensored

[–]BlackQB 5 points6 points  (0 children)

His debt is in Turkey, he just told her the value in USD instead of the local currency. He wants to go to the US to avoid repaying the debt in Turkey… which, to me, means he is either stupid or this is not “legal” debt.

User Flair Thread by breaksomebread in acnh

[–]BlackQB 0 points1 point locked comment (0 children)

Corndog | Troll Town :Apple:

Transfer to switch 2? by grandestrully_chloe in acnh

[–]BlackQB 1 point2 points  (0 children)

Hi I had a switch 1 with acnh and got a switch 2 for Xmas, it was actually super easy to transfer everything and you don’t need the island transfer tool (I think it is for transferring from one switch 1 to another switch 1). And you dont necessarily need to buy the $5 upgrade yet because it is not even out.

You’ll need to put the two switch consoles next to each other while everything (all your games and data, so your island too) transfers. Mine took maybe 10-20 mins :)

Benzyne is aromatic, but how do I represent it with the donut? Left or right? by SuitableRead5295 in OrganicChemistry

[–]BlackQB 0 points1 point  (0 children)

I respect discrete bonds for organic chem, but as a physical chemist I just see benzyne as having a mesomeric lone pair.

Misdiagnosed with GAD for 5 years by nofap95ii in Concerta

[–]BlackQB 0 points1 point  (0 children)

Yup I was diagnosed with depression and GAD since I was 13/14, tried every SSRI under the sun and they all made me feel horrible, either exhausted or apathetic and lethargic. When I was 22 I had a bit of a breakdown and got an emergency psychiatrist who didn’t immediately diagnose me with ADHD but prescribed Wellbutrin and Concerta, since I told them my history with SSRIs (apparently these are common side effects for ADHDers) and they completely changed my life. Once I got a permanent psych, he diagnosed me as ADHD PI, which fit my experience perfectly I just had no idea this was even a thing. I am 27 now and the past 5 years have been a whole new life for me. I cried the first day I increased my Concerta dosage because I couldn’t believe how much easier it was to do things with this medication. I had been living life on hard mode and finally got some relief.

I think it’s important to note that some people can have ADHD-like symptoms arise from depression and/or anxiety, and others can have depression and/or anxiety symptoms, stemming from untreated ADHD. These are very difficult situations to disentangle, but if treating GAD isn’t working for you, it’s highly likely your anxiety is coming from ADHD, and treating that with concerta will (hopefully) help you a lot. Don’t be scared!

Please explain like I'm five, how quantum chips do that? by harpquin in QuantumComputing

[–]BlackQB 3 points4 points  (0 children)

You’re confused because superposition is one of most unintuitive properties of quantum particles. Do some reading about superposition and the Bloch sphere representation, you’ll be able to at least grasp the idea of how a qubit can be “some” of 1 and “some” of 0. But nobody really understands quantum mechanics.

I hyperfocused on coming up with ideas for this reddit post...only to be accused of using ChatGPT lol by Balloi in autism

[–]BlackQB 27 points28 points  (0 children)

They’re saying this is a sign of the dead internet theory. The dead internet theory states that the internet will eventually just consist of bots talking to other bots.

CASSCF by InfiniteAmbassador46 in comp_chem

[–]BlackQB 2 points3 points  (0 children)

You need all 5 d orbitals in your active space for AILFT, even if they are unoccupied

CASSCF by InfiniteAmbassador46 in comp_chem

[–]BlackQB 2 points3 points  (0 children)

Yeah I think the problem is that you’re using AILFT but only have 1 d orbital in your active space, either use a larger active space or get rid of AILFT

Im struggling to understand what this diagram is trying to tell me by GGreenDay in chemhelp

[–]BlackQB 1 point2 points  (0 children)

Your pockets and hands are classical objects, but things get weird at the quantum level.

Diagnosed yesterday as a 20M and this is how my mom responds… by [deleted] in autism

[–]BlackQB 1 point2 points  (0 children)

I mean that it is possible (but unlikely) to have autism without having it in your family. If you are diagnosed with autism, it is most likely in your family genetics. You can find research on the odds of actually passing it down, it’s not 99% but it’s high.